2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile

C15H20ClN3 — CID 112539255

IUPAC2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile
SMILESCCCN1CCN(C(C#N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3/c1-2-6-18-7-9-19(10-8-18)15(12-17)13-4-3-5-14(16)11-13/h3-5,11,15H,2,6-10H2,1H3
InChIKeyITDBEWDCNKRWMS-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.93
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile

2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile (PubChem CID 112539255) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile
PubChem CID112539255
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile
SMILESCCCN1CCN(C(C#N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3/c1-2-6-18-7-9-19(10-8-18)15(12-17)13-4-3-5-14(16)11-13/h3-5,11,15H,2,6-10H2,1H3
InChIKeyITDBEWDCNKRWMS-UHFFFAOYSA-N
XLogP2.93
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile 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-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylphenyl)acetonitrile
CID 84757083
2-(3-chlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetonitrile
CID 112539251
N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4789308
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
2-[4-(2-methylpropoxy)phenyl]-2-(4-propylpiperazin-1-yl)acetonitrile
CID 112540245
2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350143
2-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350109
2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-propylpiperazin-1-yl)acetonitrile
CID 112540006
2-(3-chlorophenyl)-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile
CID 110350144
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
2-(3-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 79980179

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile (CID 112539255) is 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile is CCCN1CCN(C(C#N)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile?
The InChIKey is ITDBEWDCNKRWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-6-18-7-9-19(10-8-18)15(12-17)13-4-3-5-14(16)11-13/h3-5,11,15H,2,6-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile?
2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile has a molecular weight of 277.80 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 112539255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).