3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C12H19F4NO — CID 165490772

IUPAC3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCC(F)CC2)C1
InChIInChI=1S/C12H19F4NO/c13-8-3-5-17(6-4-8)11-7-9(18)1-2-10(11)12(14,15)16/h8-11,18H,1-7H2
InChIKeyGAQZOBVREHGQFY-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.51
Rot. Bonds1

About 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490772) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490772
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCC(F)CC2)C1
InChIInChI=1S/C12H19F4NO/c13-8-3-5-17(6-4-8)11-7-9(18)1-2-10(11)12(14,15)16/h8-11,18H,1-7H2
InChIKeyGAQZOBVREHGQFY-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490772) is 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2CCC(F)CC2)C1.
What is the InChIKey of 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is GAQZOBVREHGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c13-8-3-5-17(6-4-8)11-7-9(18)1-2-10(11)12(14,15)16/h8-11,18H,1-7H2.
What are the key properties of 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 269.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).