[5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol

C8H14F3NO — CID 83915832

IUPAC[5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol
SMILESCC1CNC(C(F)(F)F)C(CO)C1
InChIInChI=1S/C8H14F3NO/c1-5-2-6(4-13)7(12-3-5)8(9,10)11/h5-7,12-13H,2-4H2,1H3
InChIKeyKXBYPQHWGFFVFZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.16
Rot. Bonds1

About [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol

[5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol (PubChem CID 83915832) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol
PubChem CID83915832
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol
SMILESCC1CNC(C(F)(F)F)C(CO)C1
InChIInChI=1S/C8H14F3NO/c1-5-2-6(4-13)7(12-3-5)8(9,10)11/h5-7,12-13H,2-4H2,1H3
InChIKeyKXBYPQHWGFFVFZ-UHFFFAOYSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Methylpiperidin-3-yl)methanol
CID 19019559
(4,4-Difluoropiperidin-3-yl)methanol
CID 67371998
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol
CID 50990579
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol hydrochloride
CID 86767693
(4-(Trifluoromethyl)piperidin-3-yl)methanol hydrochloride
CID 119031094
rac-((2R,3S)-2-(trifluoromethyl)piperidin-3-yl)methanol
CID 122163382
2,2-Difluoro-2-(piperidin-4-yl)ethanolhydrochloride
CID 135393112
rac-[(2R,4S)-2-(trifluoromethyl)piperidin-4-yl]methanol
CID 165944554
((3R,6R)-6-Methylpiperidin-3-YL)methanol
CID 55296951
(5-Fluoropiperidin-3-YL)methanol
CID 49761292
[3-(1,1-Difluoropropan-2-yl)piperidin-4-yl]methanol
CID 67126485
(4,4-Difluoropiperidin-3-yl)methanol hydrochloride
CID 67371997

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol?
The IUPAC name of [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol (CID 83915832) is [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol?
The canonical SMILES for [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol is CC1CNC(C(F)(F)F)C(CO)C1.
What is the InChIKey of [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol?
The InChIKey is KXBYPQHWGFFVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5-2-6(4-13)7(12-3-5)8(9,10)11/h5-7,12-13H,2-4H2,1H3.
What are the key properties of [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol?
[5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol has a molecular weight of 197.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(trifluoromethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 83915832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).