1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine

C15H25N3 — CID 80635442

IUPAC1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C15H25N3/c1-12-9-13(10-16-4)11-17-14(12)18-7-5-15(2,3)6-8-18/h9,11,16H,5-8,10H2,1-4H3
InChIKeyXVGGMRQQYJPDGS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.74
Rot. Bonds3

About 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80635442) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80635442
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C15H25N3/c1-12-9-13(10-16-4)11-17-14(12)18-7-5-15(2,3)6-8-18/h9,11,16H,5-8,10H2,1-4H3
InChIKeyXVGGMRQQYJPDGS-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80635442) is 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(N2CCC(C)(C)CC2)c(C)c1.
What is the InChIKey of 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is XVGGMRQQYJPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-9-13(10-16-4)11-17-14(12)18-7-5-15(2,3)6-8-18/h9,11,16H,5-8,10H2,1-4H3.
What are the key properties of 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80635442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).