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

C21H31FN2O — CID 24781800

IUPAC1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(CCN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H31FN2O/c1-17(25)16-19-8-6-18(7-9-19)10-11-23-12-14-24(15-13-23)21-5-3-2-4-20(21)22/h2-5,18-19H,6-16H2,1H3
InChIKeyALWPQFSOEATLHB-UHFFFAOYSA-N
MW346.49 g/mol
LogP4.12
Rot. Bonds6

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

1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one (PubChem CID 24781800) has the molecular formula C21H31FN2O and a molecular weight of 346.49 g/mol. Its IUPAC name is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one
PubChem CID24781800
Molecular FormulaC21H31FN2O
Molecular Weight346.49 g/mol
Exact Mass346.24
IUPAC Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(CCN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H31FN2O/c1-17(25)16-19-8-6-18(7-9-19)10-11-23-12-14-24(15-13-23)21-5-3-2-4-20(21)22/h2-5,18-19H,6-16H2,1H3
InChIKeyALWPQFSOEATLHB-UHFFFAOYSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one?
The IUPAC name of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one (CID 24781800) is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one is CC(=O)CC1CCC(CCN2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one?
The InChIKey is ALWPQFSOEATLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O/c1-17(25)16-19-8-6-18(7-9-19)10-11-23-12-14-24(15-13-23)21-5-3-2-4-20(21)22/h2-5,18-19H,6-16H2,1H3.
What are the key properties of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one?
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one has a molecular weight of 346.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propan-2-one is sourced from PubChem (CID 24781800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).