N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine

C15H23ClN2 — CID 54899450

IUPACN-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-13(18-9-3-2-4-10-18)11-17-12-14-5-7-15(16)8-6-14/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyDNACJLBFUANBOB-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.30
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine

N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 54899450) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID54899450
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-13(18-9-3-2-4-10-18)11-17-12-14-5-7-15(16)8-6-14/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyDNACJLBFUANBOB-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-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

(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 110301735

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 54899450) is N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine is CC(CNCc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is DNACJLBFUANBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-13(18-9-3-2-4-10-18)11-17-12-14-5-7-15(16)8-6-14/h5-8,13,17H,2-4,9-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54899450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).