1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

C13H22F3NO3 — CID 157039179

IUPAC1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC(C(F)(F)F)CC2)CC(O)C1O
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)9-3-1-8(2-4-9)5-17-6-10(18)12(20)11(19)7-17/h8-12,18-20H,1-7H2
InChIKeyQRSDASXAGDFAHM-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.75
Rot. Bonds2

About 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 157039179) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID157039179
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC(C(F)(F)F)CC2)CC(O)C1O
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)9-3-1-8(2-4-9)5-17-6-10(18)12(20)11(19)7-17/h8-12,18-20H,1-7H2
InChIKeyQRSDASXAGDFAHM-UHFFFAOYSA-N
XLogP0.75
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 157039179) is 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is OC1CN(CC2CCC(C(F)(F)F)CC2)CC(O)C1O.
What is the InChIKey of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is QRSDASXAGDFAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c14-13(15,16)9-3-1-8(2-4-9)5-17-6-10(18)12(20)11(19)7-17/h8-12,18-20H,1-7H2.
What are the key properties of 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 297.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).