[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C17H15Cl2FN2O — CID 17217210

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2FN2O/c18-15-6-5-14(11-16(15)19)21-7-9-22(10-8-21)17(23)12-1-3-13(20)4-2-12/h1-6,11H,7-10H2
InChIKeySGNRDPMKECLLQE-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.09
Rot. Bonds2

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 17217210) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID17217210
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2FN2O/c18-15-6-5-14(11-16(15)19)21-7-9-22(10-8-21)17(23)12-1-3-13(20)4-2-12/h1-6,11H,7-10H2
InChIKeySGNRDPMKECLLQE-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone 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

[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
CID 25093752
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113078685
(3,4-dichlorophenyl)-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077951
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 17217210) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is SGNRDPMKECLLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O/c18-15-6-5-14(11-16(15)19)21-7-9-22(10-8-21)17(23)12-1-3-13(20)4-2-12/h1-6,11H,7-10H2.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 353.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 17217210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).