3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C19H27FN2O — CID 898320

IUPAC3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h7-10,16H,1-6,11-15H2
InChIKeyBKYJFOIQAZGKOQ-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.83
Rot. Bonds4

About 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 898320) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID898320
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h7-10,16H,1-6,11-15H2
InChIKeyBKYJFOIQAZGKOQ-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108533931
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1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55919453
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
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3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60501681
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea
CID 16621551
3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60542887
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
2-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 87029948

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 898320) is 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is BKYJFOIQAZGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h7-10,16H,1-6,11-15H2.
What are the key properties of 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 318.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 898320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).