2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine

C13H17F3N2 — CID 146284962

IUPAC2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine
SMILESCc1cc(CC2CCCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2/c1-9-5-11(6-10-3-2-4-17-8-10)7-12(18-9)13(14,15)16/h5,7,10,17H,2-4,6,8H2,1H3
InChIKeyJWVABDCGMVDMKR-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.95
Rot. Bonds2

About 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine

2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine (PubChem CID 146284962) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine
PubChem CID146284962
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine
SMILESCc1cc(CC2CCCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2/c1-9-5-11(6-10-3-2-4-17-8-10)7-12(18-9)13(14,15)16/h5,7,10,17H,2-4,6,8H2,1H3
InChIKeyJWVABDCGMVDMKR-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
7-(piperidin-3-ylmethyl)-4-(trifluoromethyl)isoquinoline
CID 117474743
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine (CID 146284962) is 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine is Cc1cc(CC2CCCNC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine?
The InChIKey is JWVABDCGMVDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9-5-11(6-10-3-2-4-17-8-10)7-12(18-9)13(14,15)16/h5,7,10,17H,2-4,6,8H2,1H3.
What are the key properties of 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine?
2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine has a molecular weight of 258.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 146284962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).