(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone

C17H16F2N2O — CID 4806675

IUPAC(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16F2N2O/c18-14-10-13(11-15(19)12-14)17(22)21-8-6-20(7-9-21)16-4-2-1-3-5-16/h1-5,10-12H,6-9H2
InChIKeyVTWMJYAFQRUWLJ-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.93
Rot. Bonds2

About (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone

(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 4806675) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID4806675
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16F2N2O/c18-14-10-13(11-15(19)12-14)17(22)21-8-6-20(7-9-21)16-4-2-1-3-5-16/h1-5,10-12H,6-9H2
InChIKeyVTWMJYAFQRUWLJ-UHFFFAOYSA-N
XLogP2.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 9160956
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,5-difluorobenzoate
CID 7990009
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone (CID 4806675) is (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(F)cc(F)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VTWMJYAFQRUWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-14-10-13(11-15(19)12-14)17(22)21-8-6-20(7-9-21)16-4-2-1-3-5-16/h1-5,10-12H,6-9H2.
What are the key properties of (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone?
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 302.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 4806675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).