1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one

C16H23FN2O — CID 591294

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-2-3-4-5-16(20)19-12-10-18(11-13-19)15-8-6-14(17)7-9-15/h6-9H,2-5,10-13H2,1H3
InChIKeyBRMISQFPNJSNGK-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one (PubChem CID 591294) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
PubChem CID591294
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-2-3-4-5-16(20)19-12-10-18(11-13-19)15-8-6-14(17)7-9-15/h6-9H,2-5,10-13H2,1H3
InChIKeyBRMISQFPNJSNGK-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 42767223
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
1-[4-(4-nitrophenyl)piperazin-1-yl]undecan-1-one
CID 4640074
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111149984
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one (CID 591294) is 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one is CCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is BRMISQFPNJSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-3-4-5-16(20)19-12-10-18(11-13-19)15-8-6-14(17)7-9-15/h6-9H,2-5,10-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one has a molecular weight of 278.37 g/mol, XLogP of 3.05, 5 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]hexan-1-one is sourced from PubChem (CID 591294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).