[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol

C12H16F3N3O — CID 106747257

IUPAC[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
SMILESNc1cnc(C(F)(F)F)cc1N1CCC(CO)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-5-10(9(16)6-17-11)18-3-1-8(7-19)2-4-18/h5-6,8,19H,1-4,7,16H2
InChIKeyUTLIONXEOKUMEF-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.89
Rot. Bonds2

About [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol

[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol (PubChem CID 106747257) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
PubChem CID106747257
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
SMILESNc1cnc(C(F)(F)F)cc1N1CCC(CO)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-5-10(9(16)6-17-11)18-3-1-8(7-19)2-4-18/h5-6,8,19H,1-4,7,16H2
InChIKeyUTLIONXEOKUMEF-UHFFFAOYSA-N
XLogP1.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide
CID 106747519
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106748167
[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169180436
4-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-amine
CID 106747091
4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747410
4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747710
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
CID 106747103
4-(2-cyclopentylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747600
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 114565679

Frequently Asked Questions

What is the IUPAC name of [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol (CID 106747257) is [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol is Nc1cnc(C(F)(F)F)cc1N1CCC(CO)CC1.
What is the InChIKey of [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is UTLIONXEOKUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-5-10(9(16)6-17-11)18-3-1-8(7-19)2-4-18/h5-6,8,19H,1-4,7,16H2.
What are the key properties of [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol?
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 275.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 106747257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).