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

C18H27FN2O — CID 4161880

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-2-3-4-5-6-7-18(22)21-14-12-20(13-15-21)17-10-8-16(19)9-11-17/h8-11H,2-7,12-15H2,1H3
InChIKeyDCFSVYVUFRSNMS-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.83
Rot. Bonds7

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

1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one (PubChem CID 4161880) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
PubChem CID4161880
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-2-3-4-5-6-7-18(22)21-14-12-20(13-15-21)17-10-8-16(19)9-11-17/h8-11H,2-7,12-15H2,1H3
InChIKeyDCFSVYVUFRSNMS-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.83
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]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 42767223
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-nitrophenyl)piperazin-1-yl]undecan-1-one
CID 4640074
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
1-(4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea
CID 3946205
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111149984
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one (CID 4161880) is 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one is CCCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one?
The InChIKey is DCFSVYVUFRSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-2-3-4-5-6-7-18(22)21-14-12-20(13-15-21)17-10-8-16(19)9-11-17/h8-11H,2-7,12-15H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one has a molecular weight of 306.42 g/mol, XLogP of 3.83, 7 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]octan-1-one is sourced from PubChem (CID 4161880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).