1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine

C14H21ClN2 — CID 82298365

IUPAC1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine
SMILESCC1CNCCN1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-12-11-16-8-10-17(12)9-2-3-13-4-6-14(15)7-5-13/h4-7,12,16H,2-3,8-11H2,1H3
InChIKeyMLCLEQVSLGJSMX-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.57
Rot. Bonds4

About 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine

1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine (PubChem CID 82298365) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine
PubChem CID82298365
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine
SMILESCC1CNCCN1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-12-11-16-8-10-17(12)9-2-3-13-4-6-14(15)7-5-13/h4-7,12,16H,2-3,8-11H2,1H3
InChIKeyMLCLEQVSLGJSMX-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine 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

(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
CID 170459835
(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82713118
(2R)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82714157
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
CID 95656879
1-butyl-2-[[4-(4-chlorophenyl)phenyl]methyl]piperazine
CID 142781333
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine (CID 82298365) is 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine is CC1CNCCN1CCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine?
The InChIKey is MLCLEQVSLGJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-11-16-8-10-17(12)9-2-3-13-4-6-14(15)7-5-13/h4-7,12,16H,2-3,8-11H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine?
1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine is sourced from PubChem (CID 82298365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).