1-[1-(trifluoromethyl)piperidin-4-yl]ethanol

C8H14F3NO — CID 167323639

IUPAC1-[1-(trifluoromethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-6(13)7-2-4-12(5-3-7)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyUUVRTTHWJUGAEE-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.60
Rot. Bonds1

About 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol

1-[1-(trifluoromethyl)piperidin-4-yl]ethanol (PubChem CID 167323639) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)piperidin-4-yl]ethanol
PubChem CID167323639
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[1-(trifluoromethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-6(13)7-2-4-12(5-3-7)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyUUVRTTHWJUGAEE-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-piperidinemethanol
CID 271971
1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
(1-Ethyl-4-piperidinyl)methanol
CID 15512642
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanol
CID 52274441
(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethanol
CID 44368116
trans-1,4-Dimethylpiperidin-3-ol
CID 537403
1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
(1S)-1-(1-methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 165881233
(1R)-1-(1-methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 170912928
(1-Butylpiperidin-4-yl)methanol
CID 10241250
3-Piperidinol, 1,4-dimethyl-, trans-
CID 58697519

Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol (CID 167323639) is 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol is CC(O)C1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol?
The InChIKey is UUVRTTHWJUGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(13)7-2-4-12(5-3-7)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol?
1-[1-(trifluoromethyl)piperidin-4-yl]ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 167323639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).