3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol

C13H23F3N2O — CID 43792353

IUPAC3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)9-18-6-4-10(5-7-18)17-11-2-1-3-12(19)8-11/h10-12,17,19H,1-9H2
InChIKeyNWJOAASXMBRXGX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.91
Rot. Bonds3

About 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol

3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 43792353) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID43792353
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)9-18-6-4-10(5-7-18)17-11-2-1-3-12(19)8-11/h10-12,17,19H,1-9H2
InChIKeyNWJOAASXMBRXGX-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 43792353) is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol is OC1CCCC(NC2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is NWJOAASXMBRXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)9-18-6-4-10(5-7-18)17-11-2-1-3-12(19)8-11/h10-12,17,19H,1-9H2.
What are the key properties of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol?
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 43792353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).