2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile

C13H14Cl2N2 — CID 117003663

IUPAC2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile
SMILESN#CCC1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H14Cl2N2/c14-11-1-2-13(12(15)9-11)17-7-4-10(3-6-16)5-8-17/h1-2,9-10H,3-5,7-8H2
InChIKeyKKVWOLGSJYEDTP-UHFFFAOYSA-N
MW269.17 g/mol
LogP4.12
Rot. Bonds2

About 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile

2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile (PubChem CID 117003663) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile
PubChem CID117003663
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile
SMILESN#CCC1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H14Cl2N2/c14-11-1-2-13(12(15)9-11)17-7-4-10(3-6-16)5-8-17/h1-2,9-10H,3-5,7-8H2
InChIKeyKKVWOLGSJYEDTP-UHFFFAOYSA-N
XLogP4.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,4-dichlorophenyl)piperidin-4-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

5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]acetonitrile
CID 117044806
2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile
CID 140556482
2-[1-(4-methylphenyl)piperidin-4-yl]acetonitrile
CID 117003604
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944687
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
CID 54989164
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
5-chloro-2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]benzonitrile
CID 133447868
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
CID 63081906
5-chloro-2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]benzonitrile
CID 133331890
1-[2-chloro-4-(chloromethyl)phenyl]-4-ethylpiperidine
CID 81151438

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile (CID 117003663) is 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile is N#CCC1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile?
The InChIKey is KKVWOLGSJYEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c14-11-1-2-13(12(15)9-11)17-7-4-10(3-6-16)5-8-17/h1-2,9-10H,3-5,7-8H2.
What are the key properties of 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile?
2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile has a molecular weight of 269.17 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 117003663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).