1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol

C13H16F3NO — CID 5180021

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-4-1-3-10(7-11)8-17-6-2-5-12(18)9-17/h1,3-4,7,12,18H,2,5-6,8-9H2
InChIKeyMJPGKZMPXLQIKM-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.66
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol

1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol (PubChem CID 5180021) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
PubChem CID5180021
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-4-1-3-10(7-11)8-17-6-2-5-12(18)9-17/h1,3-4,7,12,18H,2,5-6,8-9H2
InChIKeyMJPGKZMPXLQIKM-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 163354854
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 45173316

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol (CID 5180021) is 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol is OC1CCCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
The InChIKey is MJPGKZMPXLQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-4-1-3-10(7-11)8-17-6-2-5-12(18)9-17/h1,3-4,7,12,18H,2,5-6,8-9H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol has a molecular weight of 259.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 5180021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).