(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride

C13H20ClNO2 — CID 171194815

IUPAC(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccc([C@@H]2CCCCN2)cc1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-7-6-10(9-13(12)16-2)11-5-3-4-8-14-11;/h6-7,9,11,14H,3-5,8H2,1-2H3;1H/t11-;/m0./s1
InChIKeyDPAWBZLIOBAOPQ-MERQFXBCSA-N
MW257.76 g/mol
LogP2.94
Rot. Bonds3

About (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride

(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride (PubChem CID 171194815) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
PubChem CID171194815
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccc([C@@H]2CCCCN2)cc1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-12-7-6-10(9-13(12)16-2)11-5-3-4-8-14-11;/h6-7,9,11,14H,3-5,8H2,1-2H3;1H/t11-;/m0./s1
InChIKeyDPAWBZLIOBAOPQ-MERQFXBCSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
CID 117492466
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
2-(3-methoxy-4-nitrophenyl)azepane
CID 113452612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride (CID 171194815) is (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride is COc1ccc([C@@H]2CCCCN2)cc1OC.Cl.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride?
The InChIKey is DPAWBZLIOBAOPQ-MERQFXBCSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-15-12-7-6-10(9-13(12)16-2)11-5-3-4-8-14-11;/h6-7,9,11,14H,3-5,8H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride?
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171194815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).