3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine

C20H26ClN3 — CID 113229549

IUPAC3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
SMILESNC(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3/c21-19-8-6-18(7-9-19)20(22)10-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-9,20H,10-16,22H2
InChIKeyVTQBSLAFZKKKKY-UHFFFAOYSA-N
MW343.90 g/mol
LogP3.55
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine

3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine (PubChem CID 113229549) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
PubChem CID113229549
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
SMILESNC(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3/c21-19-8-6-18(7-9-19)20(22)10-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-9,20H,10-16,22H2
InChIKeyVTQBSLAFZKKKKY-UHFFFAOYSA-N
XLogP3.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)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

1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
CID 62644602
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-benzyl-4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazine;bis((Z)-but-2-enedioic acid)
CID 6436573
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 143151502
1-benzyl-4-[3-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)propyl]piperazine
CID 42867881
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine
CID 115561907
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine (CID 113229549) is 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine is NC(CCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine?
The InChIKey is VTQBSLAFZKKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3/c21-19-8-6-18(7-9-19)20(22)10-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-9,20H,10-16,22H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine?
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine has a molecular weight of 343.90 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 113229549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).