2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C17H24FN3O — CID 861157

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C17H24FN3O/c18-15-4-6-16(7-5-15)20-12-10-19(11-13-20)14-17(22)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2
InChIKeyPCRLKOCNCDKEAS-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.96
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 861157) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID861157
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C17H24FN3O/c18-15-4-6-16(7-5-15)20-12-10-19(11-13-20)14-17(22)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2
InChIKeyPCRLKOCNCDKEAS-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 87019545
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 167783334
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 167772223
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 861157) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is PCRLKOCNCDKEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c18-15-4-6-16(7-5-15)20-12-10-19(11-13-20)14-17(22)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 305.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 861157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).