2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine

C13H18F3N3 — CID 146285966

IUPAC2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine
SMILESCc1cc(NCC2CCCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3/c1-9-5-11(6-12(19-9)13(14,15)16)18-8-10-3-2-4-17-7-10/h5-6,10,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeySIPSBRZHMZCABP-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine

2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 146285966) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine
PubChem CID146285966
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine
SMILESCc1cc(NCC2CCCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3/c1-9-5-11(6-12(19-9)13(14,15)16)18-8-10-3-2-4-17-7-10/h5-6,10,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeySIPSBRZHMZCABP-UHFFFAOYSA-N
XLogP2.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5116563
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CID 57445256
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CID 58854045
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CID 69037547
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CID 70700692
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CID 122669948
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CID 138635981
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CID 44300021
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CID 110252935
CID 110252935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine (CID 146285966) is 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine is Cc1cc(NCC2CCCNC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is SIPSBRZHMZCABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-5-11(6-12(19-9)13(14,15)16)18-8-10-3-2-4-17-7-10/h5-6,10,17H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine?
2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146285966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).