1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine

C21H28N2O — CID 45174653

IUPAC1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine
SMILESCOc1ccc(CN2CCCC(Nc3ccccc3)C2)c(C)c1C
InChIInChI=1S/C21H28N2O/c1-16-17(2)21(24-3)12-11-18(16)14-23-13-7-10-20(15-23)22-19-8-5-4-6-9-19/h4-6,8-9,11-12,20,22H,7,10,13-15H2,1-3H3
InChIKeyULNCUAYJQDGESQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.39
Rot. Bonds5

About 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine

1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine (PubChem CID 45174653) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine
PubChem CID45174653
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine
SMILESCOc1ccc(CN2CCCC(Nc3ccccc3)C2)c(C)c1C
InChIInChI=1S/C21H28N2O/c1-16-17(2)21(24-3)12-11-18(16)14-23-13-7-10-20(15-23)22-19-8-5-4-6-9-19/h4-6,8-9,11-12,20,22H,7,10,13-15H2,1-3H3
InChIKeyULNCUAYJQDGESQ-UHFFFAOYSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
5-chloro-2-methoxy-4-[[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methyl]phenol
CID 29180657
(2S)-N-[(S)-[(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 95795561
5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086418
4-ethyl-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56741932
(3S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidin-3-amine
CID 124743111

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine?
The IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine (CID 45174653) is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine.
What is the SMILES notation for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine?
The canonical SMILES for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine is COc1ccc(CN2CCCC(Nc3ccccc3)C2)c(C)c1C.
What is the InChIKey of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine?
The InChIKey is ULNCUAYJQDGESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16-17(2)21(24-3)12-11-18(16)14-23-13-7-10-20(15-23)22-19-8-5-4-6-9-19/h4-6,8-9,11-12,20,22H,7,10,13-15H2,1-3H3.
What are the key properties of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine?
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine has a molecular weight of 324.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine is sourced from PubChem (CID 45174653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).