2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine

C18H28F3N3O2 — CID 157039506

IUPAC2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine
SMILESCN1CCC(O)CC1CO.FC(F)(F)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C11H13F3N2.C7H15NO2/c12-11(13,14)9-5-4-6-10(15-9)16-7-2-1-3-8-16;1-8-3-2-7(10)4-6(8)5-9/h4-6H,1-3,7-8H2;6-7,9-10H,2-5H2,1H3
InChIKeyZFBXGTFVBBNSNV-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.52
Rot. Bonds2

About 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine

2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine (PubChem CID 157039506) has the molecular formula C18H28F3N3O2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine
PubChem CID157039506
Molecular FormulaC18H28F3N3O2
Molecular Weight375.44 g/mol
Exact Mass375.21
IUPAC Name2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine
SMILESCN1CCC(O)CC1CO.FC(F)(F)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C11H13F3N2.C7H15NO2/c12-11(13,14)9-5-4-6-10(15-9)16-7-2-1-3-8-16;1-8-3-2-7(10)4-6(8)5-9/h4-6H,1-3,7-8H2;6-7,9-10H,2-5H2,1H3
InChIKeyZFBXGTFVBBNSNV-UHFFFAOYSA-N
XLogP2.52
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522477
(2R)-2-[[6-(4,4-difluoropiperidin-1-yl)-3-fluoropyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312689
[1-[6-(Hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487917
3-(Piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 70711048
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70709352
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
4-(Hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-ol
CID 56755379
[(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 71996660
3-[(3R,4S)-4-(dimethylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-1-ol
CID 72878668
3-[2-Hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol
CID 75524437
2-Methyl-4-[1-(6-methylpyridin-2-YL)piperidin-4-YL]morpholine
CID 86797178
3-[Methyl-[1-(6-methylpyridin-2-yl)piperidin-4-yl]amino]propan-1-ol
CID 86797239

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine (CID 157039506) is 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine is CN1CCC(O)CC1CO.FC(F)(F)c1cccc(N2CCCCC2)n1.
What is the InChIKey of 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine?
The InChIKey is ZFBXGTFVBBNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2.C7H15NO2/c12-11(13,14)9-5-4-6-10(15-9)16-7-2-1-3-8-16;1-8-3-2-7(10)4-6(8)5-9/h4-6H,1-3,7-8H2;6-7,9-10H,2-5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine?
2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine has a molecular weight of 375.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 157039506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).