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

C19H21ClFN3O — CID 113078755

IUPAC(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H21ClFN3O/c1-22(2)14-6-8-15(9-7-14)23-10-12-24(13-11-23)19(25)18-16(20)4-3-5-17(18)21/h3-9H,10-13H2,1-2H3
InChIKeyXZNQZDFELSNBPQ-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.51
Rot. Bonds3

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

(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone (PubChem CID 113078755) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
PubChem CID113078755
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C19H21ClFN3O/c1-22(2)14-6-8-15(9-7-14)23-10-12-24(13-11-23)19(25)18-16(20)4-3-5-17(18)21/h3-9H,10-13H2,1-2H3
InChIKeyXZNQZDFELSNBPQ-UHFFFAOYSA-N
XLogP3.51
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
CID 113075915
(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-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113078760
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
2-chloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-fluorobenzamide
CID 30509465
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone (CID 113078755) is (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone is CN(C)c1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The InChIKey is XZNQZDFELSNBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-22(2)14-6-8-15(9-7-14)23-10-12-24(13-11-23)19(25)18-16(20)4-3-5-17(18)21/h3-9H,10-13H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone has a molecular weight of 361.85 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113078755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).