1-[4-(3-chlorophenyl)butyl]piperazine

C14H21ClN2 — CID 83924570

IUPAC1-[4-(3-chlorophenyl)butyl]piperazine
SMILESClc1cccc(CCCCN2CCNCC2)c1
InChIInChI=1S/C14H21ClN2/c15-14-6-3-5-13(12-14)4-1-2-9-17-10-7-16-8-11-17/h3,5-6,12,16H,1-2,4,7-11H2
InChIKeyHYEKDFOFISQJNT-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-(3-chlorophenyl)butyl]piperazine

1-[4-(3-chlorophenyl)butyl]piperazine (PubChem CID 83924570) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)butyl]piperazine
PubChem CID83924570
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[4-(3-chlorophenyl)butyl]piperazine
SMILESClc1cccc(CCCCN2CCNCC2)c1
InChIInChI=1S/C14H21ClN2/c15-14-6-3-5-13(12-14)4-1-2-9-17-10-7-16-8-11-17/h3,5-6,12,16H,1-2,4,7-11H2
InChIKeyHYEKDFOFISQJNT-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(3-chlorophenyl)butyl]piperazine 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-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
1-[3-(3,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83924808
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982286
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923
3-(2-piperazin-1-ylethyl)aniline
CID 82071066

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)butyl]piperazine?
The IUPAC name of 1-[4-(3-chlorophenyl)butyl]piperazine (CID 83924570) is 1-[4-(3-chlorophenyl)butyl]piperazine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)butyl]piperazine?
The canonical SMILES for 1-[4-(3-chlorophenyl)butyl]piperazine is Clc1cccc(CCCCN2CCNCC2)c1.
What is the InChIKey of 1-[4-(3-chlorophenyl)butyl]piperazine?
The InChIKey is HYEKDFOFISQJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-14-6-3-5-13(12-14)4-1-2-9-17-10-7-16-8-11-17/h3,5-6,12,16H,1-2,4,7-11H2.
What are the key properties of 1-[4-(3-chlorophenyl)butyl]piperazine?
1-[4-(3-chlorophenyl)butyl]piperazine has a molecular weight of 252.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)butyl]piperazine is sourced from PubChem (CID 83924570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).