[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone

C17H16F2N2O — CID 113081342

IUPAC[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F2N2O/c18-15-7-6-14(12-16(15)19)20-8-10-21(11-9-20)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyRWWXXRTVVLQCNR-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.93
Rot. Bonds2

About [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone

[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone (PubChem CID 113081342) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
PubChem CID113081342
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F2N2O/c18-15-7-6-14(12-16(15)19)20-8-10-21(11-9-20)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyRWWXXRTVVLQCNR-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

[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081358
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113077272
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-phenylmethanone
CID 113079599
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 1056355
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone
CID 130451414
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
1-(4-benzoylpiperazin-1-yl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 134059953

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone (CID 113081342) is [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is RWWXXRTVVLQCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-15-7-6-14(12-16(15)19)20-8-10-21(11-9-20)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone?
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone 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 [4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 113081342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).