1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol

C13H25FN2O — CID 126846847

IUPAC1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(CCF)CC2)CCCCC1
InChIInChI=1S/C13H25FN2O/c14-6-7-15-8-10-16(11-9-15)12-13(17)4-2-1-3-5-13/h17H,1-12H2
InChIKeyIDILDDYCQVEPQB-UHFFFAOYSA-N
MW244.35 g/mol
LogP1.27
Rot. Bonds4

About 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol

1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 126846847) has the molecular formula C13H25FN2O and a molecular weight of 244.35 g/mol. Its IUPAC name is 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID126846847
Molecular FormulaC13H25FN2O
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC Name1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(CCF)CC2)CCCCC1
InChIInChI=1S/C13H25FN2O/c14-6-7-15-8-10-16(11-9-15)12-13(17)4-2-1-3-5-13/h17H,1-12H2
InChIKeyIDILDDYCQVEPQB-UHFFFAOYSA-N
XLogP1.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 126846847) is 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCN(CCF)CC2)CCCCC1.
What is the InChIKey of 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is IDILDDYCQVEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O/c14-6-7-15-8-10-16(11-9-15)12-13(17)4-2-1-3-5-13/h17H,1-12H2.
What are the key properties of 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 244.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126846847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).