4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol

C12H21F3N2O — CID 174923469

IUPAC4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CNCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-5-10(7-16-6-8)17-9-1-3-11(18)4-2-9/h8-11,16-18H,1-7H2
InChIKeyUHEKNLOFQAWWSU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.42
Rot. Bonds2

About 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol

4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol (PubChem CID 174923469) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol
PubChem CID174923469
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CNCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-5-10(7-16-6-8)17-9-1-3-11(18)4-2-9/h8-11,16-18H,1-7H2
InChIKeyUHEKNLOFQAWWSU-UHFFFAOYSA-N
XLogP1.42
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol (CID 174923469) is 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol is OC1CCC(NC2CNCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol?
The InChIKey is UHEKNLOFQAWWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)8-5-10(7-16-6-8)17-9-1-3-11(18)4-2-9/h8-11,16-18H,1-7H2.
What are the key properties of 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol?
4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol has a molecular weight of 266.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 174923469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).