7VY

(3R)-3-[(3-methoxyphenyl)methyl]piperidine

Created:	2016-12-08
Last modified:	2017-01-11

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1 entries where 7VY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	6

2D diagram of 7VY

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Chemical Component Summary
Name	(3R)-3-[(3-methoxyphenyl)methyl]piperidine
Systematic Name (OpenEye OEToolkits)	(3~{R})-3-[(3-methoxyphenyl)methyl]piperidine
Formula	C₁₃ H₁₉ N O
Molecular Weight	205.296
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(cc1OC)CC2CNCCC2
SMILES	CACTVS	3.385	COc1cccc(C[CH]2CCCNC2)c1
SMILES	OpenEye OEToolkits	2.0.6	COc1cccc(c1)CC2CCCNC2
Canonical SMILES	CACTVS	3.385	COc1cccc(C[C@H]2CCCNC2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1cccc(c1)C[C@H]2CCCNC2
InChI	InChI	1.03	InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3/t12-/m1/s1
InChIKey	InChI	1.03	GQKSLDMVANTJRX-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	40427923

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