cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C17H23FN2O — CID 808002

IUPACcyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKeyCBAROQKBBDTLOF-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.05
Rot. Bonds2

About cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 808002) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID808002
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Namecyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKeyCBAROQKBBDTLOF-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 808002) is cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is CBAROQKBBDTLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13H2.
What are the key properties of cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 290.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 808002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).