[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine

C17H20ClN3 — CID 28801360

IUPAC[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H20ClN3/c18-15-2-1-3-17(12-15)21-10-8-20(9-11-21)16-6-4-14(13-19)5-7-16/h1-7,12H,8-11,13,19H2
InChIKeyIJPKIPKLDBOKRY-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.13
Rot. Bonds3

About [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine

[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine (PubChem CID 28801360) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
PubChem CID28801360
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H20ClN3/c18-15-2-1-3-17(12-15)21-10-8-20(9-11-21)16-6-4-14(13-19)5-7-16/h1-7,12H,8-11,13,19H2
InChIKeyIJPKIPKLDBOKRY-UHFFFAOYSA-N
XLogP3.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]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

2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 83971734
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
1-(3-chlorophenyl)azonane
CID 145391535
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
4-[4-(aminomethyl)phenyl]piperazine-1-carbaldehyde
CID 83641590
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62424244
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 24693453
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine?
The IUPAC name of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine (CID 28801360) is [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine is NCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine?
The InChIKey is IJPKIPKLDBOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-15-2-1-3-17(12-15)21-10-8-20(9-11-21)16-6-4-14(13-19)5-7-16/h1-7,12H,8-11,13,19H2.
What are the key properties of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine?
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine has a molecular weight of 301.82 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 28801360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).