2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one

C15H21FN2O — CID 64868635

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-15(19)12(2)17-8-10-18(11-9-17)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyZRIBNCZUDNFVLR-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.32
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one

2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one (PubChem CID 64868635) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
PubChem CID64868635
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-15(19)12(2)17-8-10-18(11-9-17)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyZRIBNCZUDNFVLR-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 25393057
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one (CID 64868635) is 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one is CCC(=O)C(C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one?
The InChIKey is ZRIBNCZUDNFVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-15(19)12(2)17-8-10-18(11-9-17)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one?
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one has a molecular weight of 264.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one is sourced from PubChem (CID 64868635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).