3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine

C20H31NO — CID 117485752

IUPAC3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCNC2)cc1C1CCC(C)CC1
InChIInChI=1S/C20H31NO/c1-15-5-8-18(9-6-15)19-13-16(7-10-20(19)22-2)12-17-4-3-11-21-14-17/h7,10,13,15,17-18,21H,3-6,8-9,11-12,14H2,1-2H3
InChIKeyDVFFZNFYFUZTOU-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.53
Rot. Bonds4

About 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine

3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine (PubChem CID 117485752) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
PubChem CID117485752
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCNC2)cc1C1CCC(C)CC1
InChIInChI=1S/C20H31NO/c1-15-5-8-18(9-6-15)19-13-16(7-10-20(19)22-2)12-17-4-3-11-21-14-17/h7,10,13,15,17-18,21H,3-6,8-9,11-12,14H2,1-2H3
InChIKeyDVFFZNFYFUZTOU-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
CID 84799634
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine (CID 117485752) is 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine is COc1ccc(CC2CCCNC2)cc1C1CCC(C)CC1.
What is the InChIKey of 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine?
The InChIKey is DVFFZNFYFUZTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-15-5-8-18(9-6-15)19-13-16(7-10-20(19)22-2)12-17-4-3-11-21-14-17/h7,10,13,15,17-18,21H,3-6,8-9,11-12,14H2,1-2H3.
What are the key properties of 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine?
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine has a molecular weight of 301.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117485752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).