[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C17H16ClFN2O — CID 873857

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-3-7-16(8-4-14)20-9-11-21(12-10-20)17(22)13-1-5-15(19)6-2-13/h1-8H,9-12H2
InChIKeyDYHCAOMPIYKIQZ-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.44
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 873857) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID873857
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-3-7-16(8-4-14)20-9-11-21(12-10-20)17(22)13-1-5-15(19)6-2-13/h1-8H,9-12H2
InChIKeyDYHCAOMPIYKIQZ-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 3042350
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-chlorobenzoate
CID 7378652
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
[4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081384

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 873857) is [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is DYHCAOMPIYKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-3-7-16(8-4-14)20-9-11-21(12-10-20)17(22)13-1-5-15(19)6-2-13/h1-8H,9-12H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 318.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 873857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).