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

C17H25FN2O — CID 110290585

IUPAC1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-4-17(21)20-13-11-19(12-14-20)10-9-15-5-7-16(18)8-6-15/h5-8H,2-4,9-14H2,1H3
InChIKeyAJNRIVNHOYFSJI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.70
Rot. Bonds6

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

1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one (PubChem CID 110290585) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
PubChem CID110290585
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-4-17(21)20-13-11-19(12-14-20)10-9-15-5-7-16(18)8-6-15/h5-8H,2-4,9-14H2,1H3
InChIKeyAJNRIVNHOYFSJI-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110629304
1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797192
N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide
CID 42709634
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 110308630
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one
CID 75395070
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one (CID 110290585) is 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one?
The InChIKey is AJNRIVNHOYFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-3-4-17(21)20-13-11-19(12-14-20)10-9-15-5-7-16(18)8-6-15/h5-8H,2-4,9-14H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one?
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one has a molecular weight of 292.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110290585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).