1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol

C8H14F3NO — CID 84733447

IUPAC1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
SMILESOC(CC1CCCNC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)4-6-2-1-3-12-5-6/h6-7,12-13H,1-5H2
InChIKeyFEZQRFZHVYWGOG-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds2

About 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol

1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol (PubChem CID 84733447) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
PubChem CID84733447
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
SMILESOC(CC1CCCNC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)4-6-2-1-3-12-5-6/h6-7,12-13H,1-5H2
InChIKeyFEZQRFZHVYWGOG-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-4-piperidin-3-ylbutan-2-ol
CID 105446942
piperidin-3-ylmethanol
CID 161361606
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849117
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106289581
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
2-cyclobutyl-1-piperidin-3-ylethanol
CID 105440851
3-(2-fluoropentyl)piperidine
CID 105435660
1-cyclopentyl-N-methyl-2-piperidin-3-ylethanamine
CID 116951767
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
CID 120849638
3-(2-cyclobutylpropyl)piperidine
CID 130987572
[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate
CID 98057079

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol (CID 84733447) is 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol is OC(CC1CCCNC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol?
The InChIKey is FEZQRFZHVYWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)7(13)4-6-2-1-3-12-5-6/h6-7,12-13H,1-5H2.
What are the key properties of 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol?
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol is sourced from PubChem (CID 84733447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).