2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine

C19H21F3N2O — CID 139835605

IUPAC2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESCc1cc(N2CCCCC2)cc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H21F3N2O/c1-14-10-17(24-8-3-2-4-9-24)12-16(23-14)13-25-18-7-5-6-15(11-18)19(20,21)22/h5-7,10-12H,2-4,8-9,13H2,1H3
InChIKeyGKXWJMSCSMOZRP-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.98
Rot. Bonds4

About 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine

2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 139835605) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID139835605
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESCc1cc(N2CCCCC2)cc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H21F3N2O/c1-14-10-17(24-8-3-2-4-9-24)12-16(23-14)13-25-18-7-5-6-15(11-18)19(20,21)22/h5-7,10-12H,2-4,8-9,13H2,1H3
InChIKeyGKXWJMSCSMOZRP-UHFFFAOYSA-N
XLogP4.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(naphthalen-2-yloxymethyl)-4-piperidin-1-ylpyridine
CID 139835634
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117187667
[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 30757545
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216049
1-methyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-5-carboxylic acid
CID 117215965
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine (CID 139835605) is 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine is Cc1cc(N2CCCCC2)cc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is GKXWJMSCSMOZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-14-10-17(24-8-3-2-4-9-24)12-16(23-14)13-25-18-7-5-6-15(11-18)19(20,21)22/h5-7,10-12H,2-4,8-9,13H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 350.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 139835605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).