(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride

C20H27ClN2O2 — CID 45255003

IUPAC(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
SMILESCOc1ccc(N2CC[C@@H](N)[C@@H](c3ccc(C)cc3)C2)cc1OC.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-4-6-15(7-5-14)17-13-22(11-10-18(17)21)16-8-9-19(23-2)20(12-16)24-3;/h4-9,12,17-18H,10-11,13,21H2,1-3H3;1H/t17-,18-;/m1./s1
InChIKeySFKNLNXVPSIWCS-JAXOOIEVSA-N
MW362.90 g/mol
LogP3.76
Rot. Bonds4

About (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride

(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride (PubChem CID 45255003) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
PubChem CID45255003
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
SMILESCOc1ccc(N2CC[C@@H](N)[C@@H](c3ccc(C)cc3)C2)cc1OC.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-4-6-15(7-5-14)17-13-22(11-10-18(17)21)16-8-9-19(23-2)20(12-16)24-3;/h4-9,12,17-18H,10-11,13,21H2,1-3H3;1H/t17-,18-;/m1./s1
InChIKeySFKNLNXVPSIWCS-JAXOOIEVSA-N
XLogP3.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;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

(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
CID 45255008
4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 150618822
(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine
CID 11696837
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone
CID 11508290
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid
CID 87627459
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride (CID 45255003) is (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride is COc1ccc(N2CC[C@@H](N)[C@@H](c3ccc(C)cc3)C2)cc1OC.Cl.
What is the InChIKey of (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
The InChIKey is SFKNLNXVPSIWCS-JAXOOIEVSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-14-4-6-15(7-5-14)17-13-22(11-10-18(17)21)16-8-9-19(23-2)20(12-16)24-3;/h4-9,12,17-18H,10-11,13,21H2,1-3H3;1H/t17-,18-;/m1./s1.
What are the key properties of (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 45255003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).