2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C18H25FN2O — CID 110868488

IUPAC2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-6-4-15(5-7-16)14-18(22)21-12-8-17(9-13-21)20-10-2-1-3-11-20/h4-7,17H,1-3,8-14H2
InChIKeyRBVBHBGXJDTBPD-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 110868488) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID110868488
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-6-4-15(5-7-16)14-18(22)21-12-8-17(9-13-21)20-10-2-1-3-11-20/h4-7,17H,1-3,8-14H2
InChIKeyRBVBHBGXJDTBPD-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760
2-(4-aminophenyl)-1-(4-pyrrolidin-1-ylazepan-1-yl)ethanone
CID 119891341
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454
2-(4-fluorophenyl)sulfanyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 22054661
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082521
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
2-(4-chlorophenyl)-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 99928537

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 110868488) is 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is RBVBHBGXJDTBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-6-4-15(5-7-16)14-18(22)21-12-8-17(9-13-21)20-10-2-1-3-11-20/h4-7,17H,1-3,8-14H2.
What are the key properties of 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 304.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110868488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).