3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride

C14H22ClNO2 — CID 17039525

IUPAC3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
SMILESCOc1ccc(CC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-16-13-6-5-11(9-14(13)17-2)8-12-4-3-7-15-10-12;/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3;1H
InChIKeyLJZZULFLDJDCCR-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.67
Rot. Bonds4

About 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride

3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride (PubChem CID 17039525) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
PubChem CID17039525
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
SMILESCOc1ccc(CC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-16-13-6-5-11(9-14(13)17-2)8-12-4-3-7-15-10-12;/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3;1H
InChIKeyLJZZULFLDJDCCR-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
CID 84799634
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
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-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride (CID 17039525) is 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride is COc1ccc(CC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride?
The InChIKey is LJZZULFLDJDCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-16-13-6-5-11(9-14(13)17-2)8-12-4-3-7-15-10-12;/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3;1H.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride?
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 17039525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).