[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol

C14H18F3NO — CID 3116751

IUPAC[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-7-2-1-5-11(13)9-18-8-4-3-6-12(18)10-19/h1-2,5,7,12,19H,3-4,6,8-10H2
InChIKeyUXHFDNCGYXGZOJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.05
Rot. Bonds3

About [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol

[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol (PubChem CID 3116751) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
PubChem CID3116751
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-7-2-1-5-11(13)9-18-8-4-3-6-12(18)10-19/h1-2,5,7,12,19H,3-4,6,8-10H2
InChIKeyUXHFDNCGYXGZOJ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
[1-[(2-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637573
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol (CID 3116751) is [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol?
The InChIKey is UXHFDNCGYXGZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)13-7-2-1-5-11(13)9-18-8-4-3-6-12(18)10-19/h1-2,5,7,12,19H,3-4,6,8-10H2.
What are the key properties of [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol?
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 3116751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).