3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C14H24F3NO — CID 165490696

IUPAC3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CCN(C2CC(O)CCC2C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c1-13(2)5-7-18(8-6-13)12-9-10(19)3-4-11(12)14(15,16)17/h10-12,19H,3-9H2,1-2H3
InChIKeyWMCQGMFYSFXIRF-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds1

About 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490696) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490696
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CCN(C2CC(O)CCC2C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c1-13(2)5-7-18(8-6-13)12-9-10(19)3-4-11(12)14(15,16)17/h10-12,19H,3-9H2,1-2H3
InChIKeyWMCQGMFYSFXIRF-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
4-[(4,4-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991245
4-[(3,3-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991364
rel-(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethyl-4-piperidinol
CID 137343868
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490696) is 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CC1(C)CCN(C2CC(O)CCC2C(F)(F)F)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WMCQGMFYSFXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-13(2)5-7-18(8-6-13)12-9-10(19)3-4-11(12)14(15,16)17/h10-12,19H,3-9H2,1-2H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).