[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol

C14H25F3N2O — CID 62967590

IUPAC[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol
SMILESOCC1(CN2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19-8-6-18(7-9-19)10-13(12-20)4-2-1-3-5-13/h20H,1-12H2
InChIKeyXDLDJVSGGAJMQB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds4

About [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol

[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol (PubChem CID 62967590) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol
PubChem CID62967590
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol
SMILESOCC1(CN2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19-8-6-18(7-9-19)10-13(12-20)4-2-1-3-5-13/h20H,1-12H2
InChIKeyXDLDJVSGGAJMQB-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol (CID 62967590) is [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol is OCC1(CN2CCN(CC(F)(F)F)CC2)CCCCC1.
What is the InChIKey of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol?
The InChIKey is XDLDJVSGGAJMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)11-19-8-6-18(7-9-19)10-13(12-20)4-2-1-3-5-13/h20H,1-12H2.
What are the key properties of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol?
[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol has a molecular weight of 294.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]methanol is sourced from PubChem (CID 62967590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).