1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone

C20H31FN2O — CID 174243950

IUPAC1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCC(CCC)CN1CCN(c2ccc(C(C)=O)c(F)c2)CC1
InChIInChI=1S/C20H31FN2O/c1-4-6-17(7-5-2)15-22-10-12-23(13-11-22)18-8-9-19(16(3)24)20(21)14-18/h8-9,14,17H,4-7,10-13,15H2,1-3H3
InChIKeyCRPMMPHZUZMPIK-UHFFFAOYSA-N
MW334.48 g/mol
LogP4.37
Rot. Bonds8

About 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone

1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 174243950) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone
PubChem CID174243950
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC Name1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCC(CCC)CN1CCN(c2ccc(C(C)=O)c(F)c2)CC1
InChIInChI=1S/C20H31FN2O/c1-4-6-17(7-5-2)15-22-10-12-23(13-11-22)18-8-9-19(16(3)24)20(21)14-18/h8-9,14,17H,4-7,10-13,15H2,1-3H3
InChIKeyCRPMMPHZUZMPIK-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone (CID 174243950) is 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone is CCCC(CCC)CN1CCN(c2ccc(C(C)=O)c(F)c2)CC1.
What is the InChIKey of 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is CRPMMPHZUZMPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O/c1-4-6-17(7-5-2)15-22-10-12-23(13-11-22)18-8-9-19(16(3)24)20(21)14-18/h8-9,14,17H,4-7,10-13,15H2,1-3H3.
What are the key properties of 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone?
1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 334.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 174243950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).