1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol

C11H20F3NO — CID 135275098

IUPAC1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol
SMILESCC(C)(C)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)15-6-4-8(5-7-15)9(16)11(12,13)14/h8-9,16H,4-7H2,1-3H3
InChIKeyFVYCGBBPZQGRHI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds1

About 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol

1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol (PubChem CID 135275098) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol
PubChem CID135275098
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol
SMILESCC(C)(C)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)15-6-4-8(5-7-15)9(16)11(12,13)14/h8-9,16H,4-7H2,1-3H3
InChIKeyFVYCGBBPZQGRHI-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanol
CID 52274441
(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethanol
CID 44368116
1-Tert-butyl-4-methylpiperidin-3-ol
CID 5301330
1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
(1S)-1-(1-methylpiperidin-4-yl)ethan-1-olhydrochloride
CID 165881233
(1R)-1-(1-methylpiperidin-4-yl)ethanol;hydrochloride
CID 170912928
(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 1482207
[1-(2-Fluoroethyl)piperidin-4-yl]methanol
CID 55275930
1-Tert-butyl-4-(trifluoromethyl)piperidine-3,4-diol
CID 57643163
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol (CID 135275098) is 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol is CC(C)(C)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is FVYCGBBPZQGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)15-6-4-8(5-7-15)9(16)11(12,13)14/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol?
1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 239.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 135275098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).