2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine

C13H21N3 — CID 104739730

IUPAC2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine
SMILESCC1CCCC(C)N1Cc1ncccc1N
InChIInChI=1S/C13H21N3/c1-10-5-3-6-11(2)16(10)9-13-12(14)7-4-8-15-13/h4,7-8,10-11H,3,5-6,9,14H2,1-2H3
InChIKeyGSFJOCIEBSNODS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.43
Rot. Bonds2

About 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine

2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine (PubChem CID 104739730) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine
PubChem CID104739730
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine
SMILESCC1CCCC(C)N1Cc1ncccc1N
InChIInChI=1S/C13H21N3/c1-10-5-3-6-11(2)16(10)9-13-12(14)7-4-8-15-13/h4,7-8,10-11H,3,5-6,9,14H2,1-2H3
InChIKeyGSFJOCIEBSNODS-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine (CID 104739730) is 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine is CC1CCCC(C)N1Cc1ncccc1N.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine?
The InChIKey is GSFJOCIEBSNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-3-6-11(2)16(10)9-13-12(14)7-4-8-15-13/h4,7-8,10-11H,3,5-6,9,14H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine?
2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104739730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).