(2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride

C11H13ClF2N2O — CID 47003407

IUPAC(2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H12F2N2O.ClH/c12-8-1-2-9(10(13)7-8)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H
InChIKeyGOKZJHFFNFROOW-UHFFFAOYSA-N
MW262.69 g/mol
LogP1.43
Rot. Bonds1

About (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride

(2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 47003407) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID47003407
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name(2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H12F2N2O.ClH/c12-8-1-2-9(10(13)7-8)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H
InChIKeyGOKZJHFFNFROOW-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride 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

Amylase
CID 71475145
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
N-Propylbenzamide
CID 25354
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N-Ethylbenzamide
CID 11959
N,N'-dibenzoylpiperazine
CID 80185
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N-Benzoylbenzylamine
CID 73878

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride (CID 47003407) is (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1ccc(F)cc1F)N1CCNCC1.
What is the InChIKey of (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is GOKZJHFFNFROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O.ClH/c12-8-1-2-9(10(13)7-8)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H.
What are the key properties of (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride?
(2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 262.69 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 47003407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).