5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

C16H27N3 — CID 63160322

IUPAC5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCCC1(CC)CCN(Cc2ccc(NC)nc2)CC1
InChIInChI=1S/C16H27N3/c1-4-16(5-2)8-10-19(11-9-16)13-14-6-7-15(17-3)18-12-14/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,17,18)
InChIKeyBUCIJRKSAIJYLI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.53
Rot. Bonds5

About 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 63160322) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID63160322
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCCC1(CC)CCN(Cc2ccc(NC)nc2)CC1
InChIInChI=1S/C16H27N3/c1-4-16(5-2)8-10-19(11-9-16)13-14-6-7-15(17-3)18-12-14/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,17,18)
InChIKeyBUCIJRKSAIJYLI-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (CID 63160322) is 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is CCC1(CC)CCN(Cc2ccc(NC)nc2)CC1.
What is the InChIKey of 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is BUCIJRKSAIJYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-16(5-2)8-10-19(11-9-16)13-14-6-7-15(17-3)18-12-14/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 63160322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).