1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol

C13H16F3NO — CID 3731025

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-7-3-5-11(18)9-17/h1-2,4,6,11,18H,3,5,7-9H2
InChIKeyHVRYXSKVRXPHNJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.66
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol

1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol (PubChem CID 3731025) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
PubChem CID3731025
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-7-3-5-11(18)9-17/h1-2,4,6,11,18H,3,5,7-9H2
InChIKeyHVRYXSKVRXPHNJ-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

1-Benzylpiperidin-3-ol
CID 85773
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-Benzylpiperidin-4-ol
CID 78461
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-ol
CID 246288
(1-Benzylpiperidin-4-yl)methanol
CID 736802
1,1,1-Trifluoro-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]-2-propanol
CID 2783073
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
CID 15925775
{1-Benzyl-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16191371
2-{1-Isopropyl-4-[2-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16191759
1-{[2-(Trifluoromethyl)benzyl]amino}-2-propanol hydrochloride
CID 2966559
3-(4-Benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 3811822

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol (CID 3731025) is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol is OC1CCCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
The InChIKey is HVRYXSKVRXPHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-7-3-5-11(18)9-17/h1-2,4,6,11,18H,3,5,7-9H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol?
1-[[2-(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-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 3731025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).