(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone

C19H20ClFN2O — CID 113075915

IUPAC(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H20ClFN2O/c1-2-14-6-8-15(9-7-14)22-10-12-23(13-11-22)19(24)18-16(20)4-3-5-17(18)21/h3-9H,2,10-13H2,1H3
InChIKeyLPVUKPXIKMPIRX-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.00
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone (PubChem CID 113075915) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
PubChem CID113075915
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H20ClFN2O/c1-2-14-6-8-15(9-7-14)22-10-12-23(13-11-22)19(24)18-16(20)4-3-5-17(18)21/h3-9H,2,10-13H2,1H3
InChIKeyLPVUKPXIKMPIRX-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078755
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365561
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
butyl 4-(2-chloro-6-fluorobenzoyl)piperazine-1-carboxylate
CID 108570281
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone (CID 113075915) is (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone is CCc1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
The InChIKey is LPVUKPXIKMPIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-2-14-6-8-15(9-7-14)22-10-12-23(13-11-22)19(24)18-16(20)4-3-5-17(18)21/h3-9H,2,10-13H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone has a molecular weight of 346.83 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113075915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).