[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol

C19H21F3N2O2 — CID 71555149

IUPAC[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCN1CCC(c2ccccc2OC(F)(F)F)(C(O)c2ccccn2)CC1
InChIInChI=1S/C19H21F3N2O2/c1-24-12-9-18(10-13-24,17(25)15-7-4-5-11-23-15)14-6-2-3-8-16(14)26-19(20,21)22/h2-8,11,17,25H,9-10,12-13H2,1H3
InChIKeyJGSBDZKTLUEICY-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.68
Rot. Bonds4

About [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 71555149) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID71555149
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCN1CCC(c2ccccc2OC(F)(F)F)(C(O)c2ccccn2)CC1
InChIInChI=1S/C19H21F3N2O2/c1-24-12-9-18(10-13-24,17(25)15-7-4-5-11-23-15)14-6-2-3-8-16(14)26-19(20,21)22/h2-8,11,17,25H,9-10,12-13H2,1H3
InChIKeyJGSBDZKTLUEICY-UHFFFAOYSA-N
XLogP3.68
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
CID 71555441
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
(4-chlorophenyl)-[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methanol
CID 12733481
1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol
CID 176695730
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol
CID 66749821
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709
1-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]-2-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanol
CID 89021148
1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461
3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
CID 78110101

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 71555149) is [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol is CN1CCC(c2ccccc2OC(F)(F)F)(C(O)c2ccccn2)CC1.
What is the InChIKey of [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is JGSBDZKTLUEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-24-12-9-18(10-13-24,17(25)15-7-4-5-11-23-15)14-6-2-3-8-16(14)26-19(20,21)22/h2-8,11,17,25H,9-10,12-13H2,1H3.
What are the key properties of [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol?
[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 366.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 71555149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).