N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

C15H24ClN3 — CID 28656848

IUPACN-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-18-8-10-19(11-9-18)7-3-6-17-13-14-4-2-5-15(16)12-14/h2,4-5,12,17H,3,6-11,13H2,1H3
InChIKeyUSQJUMJESGKQIY-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.07
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 28656848) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID28656848
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-18-8-10-19(11-9-18)7-3-6-17-13-14-4-2-5-15(16)12-14/h2,4-5,12,17H,3,6-11,13H2,1H3
InChIKeyUSQJUMJESGKQIY-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-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

N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115761559
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
N-[(3,5-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 54860881
2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate
CID 6734387
N-[(4-bromo-3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 66472783
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
3-[[3-(4-benzylpiperazin-1-yl)propylamino]methyl]benzoic acid
CID 122030247
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
N-[[4-(difluoromethyl)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115523506

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 28656848) is N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CCCNCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is USQJUMJESGKQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18-8-10-19(11-9-18)7-3-6-17-13-14-4-2-5-15(16)12-14/h2,4-5,12,17H,3,6-11,13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 28656848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).