1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol

C13H22F3NO — CID 127889594

IUPAC1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-3-1-10(2-4-11)9-17-7-5-12(18)6-8-17/h10-12,18H,1-9H2
InChIKeyHWDPWCKBGIQMNG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds2

About 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol

1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 127889594) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID127889594
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-3-1-10(2-4-11)9-17-7-5-12(18)6-8-17/h10-12,18H,1-9H2
InChIKeyHWDPWCKBGIQMNG-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol (CID 127889594) is 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol is OC1CCN(CC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is HWDPWCKBGIQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)11-3-1-10(2-4-11)9-17-7-5-12(18)6-8-17/h10-12,18H,1-9H2.
What are the key properties of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 265.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 127889594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).