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

C12H15F3N2O — CID 102707413

IUPACpiperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-3-6-17-7-9(10)11(18)8-1-4-16-5-2-8/h3,6-8,11,16,18H,1-2,4-5H2
InChIKeyOTPXDLQBCFTQRX-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.13
Rot. Bonds2

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

piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707413) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Namepiperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707413
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Namepiperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-3-6-17-7-9(10)11(18)8-1-4-16-5-2-8/h3,6-8,11,16,18H,1-2,4-5H2
InChIKeyOTPXDLQBCFTQRX-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707884
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707826
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 102709283
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710138
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707932
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707413) is piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cnccc1C(F)(F)F)C1CCNCC1.
What is the InChIKey of piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is OTPXDLQBCFTQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-3-6-17-7-9(10)11(18)8-1-4-16-5-2-8/h3,6-8,11,16,18H,1-2,4-5H2.
What are the key properties of piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 260.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).