N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride

C20H27ClN2O2 — CID 69344166

IUPACN-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
SMILESCOc1ccc(NC2CCNCC2c2ccc(C)cc2)cc1OC.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-4-6-15(7-5-14)17-13-21-11-10-18(17)22-16-8-9-19(23-2)20(12-16)24-3;/h4-9,12,17-18,21-22H,10-11,13H2,1-3H3;1H
InChIKeyMYTDCWAPVKBPFE-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.99
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride

N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride (PubChem CID 69344166) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
PubChem CID69344166
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
SMILESCOc1ccc(NC2CCNCC2c2ccc(C)cc2)cc1OC.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-4-6-15(7-5-14)17-13-21-11-10-18(17)22-16-8-9-19(23-2)20(12-16)24-3;/h4-9,12,17-18,21-22H,10-11,13H2,1-3H3;1H
InChIKeyMYTDCWAPVKBPFE-UHFFFAOYSA-N
XLogP3.99
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(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

3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine
CID 69344181
4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
3,4-dimethoxy-N-[(1S,2S)-2-nitrocyclohexyl]aniline
CID 132916970
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
CID 82716607
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
CID 129319949
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride (CID 69344166) is N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride is COc1ccc(NC2CCNCC2c2ccc(C)cc2)cc1OC.Cl.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
The InChIKey is MYTDCWAPVKBPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-14-4-6-15(7-5-14)17-13-21-11-10-18(17)22-16-8-9-19(23-2)20(12-16)24-3;/h4-9,12,17-18,21-22H,10-11,13H2,1-3H3;1H.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride?
N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 69344166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).