1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one

C17H25FN2O — CID 3309376

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
SMILESCCCCCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-4-5-10-17(21)20-13-11-19(12-14-20)16-9-7-6-8-15(16)18/h6-9H,2-5,10-14H2,1H3
InChIKeyOCWNCJJWXATCMQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.44
Rot. Bonds6

About 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one

1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one (PubChem CID 3309376) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
PubChem CID3309376
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
SMILESCCCCCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-4-5-10-17(21)20-13-11-19(12-14-20)16-9-7-6-8-15(16)18/h6-9H,2-5,10-14H2,1H3
InChIKeyOCWNCJJWXATCMQ-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentane-1,5-dione
CID 3982950
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]hexan-1-one
CID 78850355
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
2-(4-pentanoylpiperazin-1-yl)benzonitrile
CID 113080796
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-3-oxopropane-1-sulfonamide
CID 110343327
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328573

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one (CID 3309376) is 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one is CCCCCCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one?
The InChIKey is OCWNCJJWXATCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-3-4-5-10-17(21)20-13-11-19(12-14-20)16-9-7-6-8-15(16)18/h6-9H,2-5,10-14H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one has a molecular weight of 292.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one is sourced from PubChem (CID 3309376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).