[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine

C20H26N2O — CID 95504616

IUPAC[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
SMILESCOc1ccc(C2(CN)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O/c1-23-19-9-7-18(8-10-19)20(16-21)11-13-22(14-12-20)15-17-5-3-2-4-6-17/h2-10H,11-16,21H2,1H3
InChIKeyZZTJZYKLCWNORT-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.19
Rot. Bonds5

About [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine

[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine (PubChem CID 95504616) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
PubChem CID95504616
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
SMILESCOc1ccc(C2(CN)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O/c1-23-19-9-7-18(8-10-19)20(16-21)11-13-22(14-12-20)15-17-5-3-2-4-6-17/h2-10H,11-16,21H2,1H3
InChIKeyZZTJZYKLCWNORT-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine 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

(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627364
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
CID 117464200
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine (CID 95504616) is [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine is COc1ccc(C2(CN)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine?
The InChIKey is ZZTJZYKLCWNORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-23-19-9-7-18(8-10-19)20(16-21)11-13-22(14-12-20)15-17-5-3-2-4-6-17/h2-10H,11-16,21H2,1H3.
What are the key properties of [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine?
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine has a molecular weight of 310.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 95504616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).