1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone

C24H23FN2O — CID 1277077

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23FN2O/c25-21-11-13-22(14-12-21)26-15-17-27(18-16-26)24(28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyFTVVPNIOXSIVCX-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.31
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 1277077) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID1277077
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23FN2O/c25-21-11-13-22(14-12-21)26-15-17-27(18-16-26)24(28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyFTVVPNIOXSIVCX-UHFFFAOYSA-N
XLogP4.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylfentanyl
CID 61996
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
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1-(4-((3-Fluorophenyl)amino)-1-piperidinyl)-2-(4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)ethanone
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3-Methylfentanyl, cis-
CID 3041260
N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
CID 62300
Nfepp
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trans-3-Methylfentanyl
CID 40537366
Benzoylbenzyl fentanyl
CID 10044685
3-Methylfentanyl, (3R,4R)-
CID 5745882
Cyclopropylfentanyl
CID 137332271
Valerylfentanyl
CID 21595398
Butropipazone
CID 16889

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (CID 1277077) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is FTVVPNIOXSIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-21-11-13-22(14-12-21)26-15-17-27(18-16-26)24(28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 374.46 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 1277077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).