2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol

C18H26F3N3O2 — CID 157039820

IUPAC2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCCN(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C18H26F3N3O2/c19-18(20,21)16-3-5-22-9-17(16)24-6-1-2-13(11-24)10-23-7-4-15(26)8-14(23)12-25/h3,5,9,13-15,25-26H,1-2,4,6-8,10-12H2
InChIKeyLREVLPQMWXJHBB-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.13
Rot. Bonds4

About 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol

2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol (PubChem CID 157039820) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
PubChem CID157039820
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCCN(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C18H26F3N3O2/c19-18(20,21)16-3-5-22-9-17(16)24-6-1-2-13(11-24)10-23-7-4-15(26)8-14(23)12-25/h3,5,9,13-15,25-26H,1-2,4,6-8,10-12H2
InChIKeyLREVLPQMWXJHBB-UHFFFAOYSA-N
XLogP2.13
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286680
1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine
CID 155721132
3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 175211299
1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157038983
(3S,6R)-6-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol
CID 157039954
(3S,5R)-1-[[(3S)-1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 166834402
(3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol
CID 157039380
4-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]pyrrolidin-1-yl]pyridine
CID 175865982
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039805
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 165109184
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol (CID 157039820) is 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol is OCC1CC(O)CCN1CC1CCCN(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is LREVLPQMWXJHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c19-18(20,21)16-3-5-22-9-17(16)24-6-1-2-13(11-24)10-23-7-4-15(26)8-14(23)12-25/h3,5,9,13-15,25-26H,1-2,4,6-8,10-12H2.
What are the key properties of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 373.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).