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

C18H26F3N3O2 — CID 144912986

IUPAC[(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC(Oc2cc(CN3CCC[C@H]3CO)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/t14-/m0/s1
InChIKeyKLCADGZCRRKMEK-AWEZNQCLSA-N
MW373.42 g/mol
LogP2.53
Rot. Bonds5

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

[(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 144912986) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID144912986
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name[(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC(Oc2cc(CN3CCC[C@H]3CO)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/t14-/m0/s1
InChIKeyKLCADGZCRRKMEK-AWEZNQCLSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol (CID 144912986) is [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol is CN1CCC(Oc2cc(CN3CCC[C@H]3CO)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is KLCADGZCRRKMEK-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-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 [(2S)-1-[[2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 144912986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).