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

C17H25FN2O — CID 110413324

IUPAC1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-2-6-17(21)20-13-11-19(12-14-20)10-5-8-15-7-3-4-9-16(15)18/h3-4,7,9H,2,5-6,8,10-14H2,1H3
InChIKeyGVBUWDWVSPANLM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.70
Rot. Bonds6

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

1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one (PubChem CID 110413324) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
PubChem CID110413324
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCCc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-2-6-17(21)20-13-11-19(12-14-20)10-5-8-15-7-3-4-9-16(15)18/h3-4,7,9H,2,5-6,8,10-14H2,1H3
InChIKeyGVBUWDWVSPANLM-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-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 43251243
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 110611599
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 9398051
9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one
CID 171353148
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one (CID 110413324) is 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(CCCc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one?
The InChIKey is GVBUWDWVSPANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-6-17(21)20-13-11-19(12-14-20)10-5-8-15-7-3-4-9-16(15)18/h3-4,7,9H,2,5-6,8,10-14H2,1H3.
What are the key properties of 1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one?
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-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-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110413324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).