(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride

C14H22ClNO3 — CID 171195335

IUPAC(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccc([C@H]2CCCCN2)c(OC)c1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-16-12-8-7-10(11-6-4-5-9-15-11)13(17-2)14(12)18-3;/h7-8,11,15H,4-6,9H2,1-3H3;1H/t11-;/m1./s1
InChIKeyBBNCDXHRKWOZTE-RFVHGSKJSA-N
MW287.79 g/mol
LogP2.95
Rot. Bonds4

About (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride

(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride (PubChem CID 171195335) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
PubChem CID171195335
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccc([C@H]2CCCCN2)c(OC)c1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-16-12-8-7-10(11-6-4-5-9-15-11)13(17-2)14(12)18-3;/h7-8,11,15H,4-6,9H2,1-3H3;1H/t11-;/m1./s1
InChIKeyBBNCDXHRKWOZTE-RFVHGSKJSA-N
XLogP2.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
CID 117482426
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
CID 117470804

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride (CID 171195335) is (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride is COc1ccc([C@H]2CCCCN2)c(OC)c1OC.Cl.
What is the InChIKey of (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride?
The InChIKey is BBNCDXHRKWOZTE-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-16-12-8-7-10(11-6-4-5-9-15-11)13(17-2)14(12)18-3;/h7-8,11,15H,4-6,9H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride?
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171195335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).