[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol

C12H15F3N2O — CID 169180436

IUPAC[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-2-1-10(7-16-11)17-5-3-9(8-18)4-6-17/h1-2,7,9,18H,3-6,8H2
InChIKeyATWSMKUMBMEHOY-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.31
Rot. Bonds2

About [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol

[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol (PubChem CID 169180436) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
PubChem CID169180436
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-2-1-10(7-16-11)17-5-3-9(8-18)4-6-17/h1-2,7,9,18H,3-6,8H2
InChIKeyATWSMKUMBMEHOY-UHFFFAOYSA-N
XLogP2.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]propanamide
CID 171326504
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-5,6-dihydropyrrolo[1,2-c]imidazol-7-ol
CID 168920716
N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 171992729
4-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 146140419
ethane;propane;7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-thia-7-azaspiro[3.4]octane
CID 168907006
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 47054198
4-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 43320702
2-[[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354154

Frequently Asked Questions

What is the IUPAC name of [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol (CID 169180436) is [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol is OCC1CCN(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is ATWSMKUMBMEHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)11-2-1-10(7-16-11)17-5-3-9(8-18)4-6-17/h1-2,7,9,18H,3-6,8H2.
What are the key properties of [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol?
[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 260.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 169180436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).