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

C13H22F3NO — CID 165490690

IUPAC3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCN(C2CC(O)CCC2C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-9-4-6-17(7-5-9)12-8-10(18)2-3-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyGJEXKYJZRICAOL-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds1

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

3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490690) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490690
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCN(C2CC(O)CCC2C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-9-4-6-17(7-5-9)12-8-10(18)2-3-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyGJEXKYJZRICAOL-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490690) is 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CC1CCN(C2CC(O)CCC2C(F)(F)F)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is GJEXKYJZRICAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9-4-6-17(7-5-9)12-8-10(18)2-3-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).