N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine

C13H18F3N3 — CID 79233400

IUPACN-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1cccc(CN2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H18F3N3/c1-17-12-6-2-5-11(18-12)9-19-7-3-4-10(8-19)13(14,15)16/h2,5-6,10H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyLAHYIOCFMBXIMV-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine

N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 79233400) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID79233400
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1cccc(CN2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H18F3N3/c1-17-12-6-2-5-11(18-12)9-19-7-3-4-10(8-19)13(14,15)16/h2,5-6,10H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyLAHYIOCFMBXIMV-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 112751279
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 79242714
6-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylpyridin-2-amine
CID 79243399
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 102966687
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 114082462
N-methyl-6-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 79231761
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine
CID 79233144
N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106906779
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine (CID 79233400) is N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine is CNc1cccc(CN2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is LAHYIOCFMBXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-17-12-6-2-5-11(18-12)9-19-7-3-4-10(8-19)13(14,15)16/h2,5-6,10H,3-4,7-9H2,1H3,(H,17,18).
What are the key properties of N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine?
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 79233400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).