N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine

C20H25ClN2 — CID 806863

IUPACN-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-22(15-17-5-3-2-4-6-17)20-11-13-23(14-12-20)16-18-7-9-19(21)10-8-18/h2-10,20H,11-16H2,1H3
InChIKeySOTCFRKCQDYKCC-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.44
Rot. Bonds5

About N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine

N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 806863) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID806863
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-22(15-17-5-3-2-4-6-17)20-11-13-23(14-12-20)16-18-7-9-19(21)10-8-18/h2-10,20H,11-16H2,1H3
InChIKeySOTCFRKCQDYKCC-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine 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

N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042922
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
4-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]benzoic acid
CID 122035291

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine (CID 806863) is N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine is CN(Cc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is SOTCFRKCQDYKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c1-22(15-17-5-3-2-4-6-17)20-11-13-23(14-12-20)16-18-7-9-19(21)10-8-18/h2-10,20H,11-16H2,1H3.
What are the key properties of N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine?
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 328.89 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 806863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).