[1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol

C18H26F3N3O2 — CID 166981926

IUPAC[1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC(Oc2cc(CN3CCCC3CO)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H26F3N3O2/c1-23-7-4-15(5-8-23)26-17-10-13(9-16(22-17)18(19,20)21)11-24-6-2-3-14(24)12-25/h9-10,14-15,25H,2-8,11-12H2,1H3
InChIKeyKLCADGZCRRKMEK-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.53
Rot. Bonds5

About [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol

[1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 166981926) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID166981926
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name[1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC(Oc2cc(CN3CCCC3CO)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H26F3N3O2/c1-23-7-4-15(5-8-23)26-17-10-13(9-16(22-17)18(19,20)21)11-24-6-2-3-14(24)12-25/h9-10,14-15,25H,2-8,11-12H2,1H3
InChIKeyKLCADGZCRRKMEK-UHFFFAOYSA-N
XLogP2.53
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol (CID 166981926) is [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol is CN1CCC(Oc2cc(CN3CCCC3CO)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is KLCADGZCRRKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-23-7-4-15(5-8-23)26-17-10-13(9-16(22-17)18(19,20)21)11-24-6-2-3-14(24)12-25/h9-10,14-15,25H,2-8,11-12H2,1H3.
What are the key properties of [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 373.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 166981926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).