[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine

C15H24N2 — CID 62307797

IUPAC[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(N2CCCC(C)C2C)c1
InChIInChI=1S/C15H24N2/c1-11-6-7-14(10-16)15(9-11)17-8-4-5-12(2)13(17)3/h6-7,9,12-13H,4-5,8,10,16H2,1-3H3
InChIKeyXLFZNTGNGDSOCH-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.08
Rot. Bonds2

About [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine

[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine (PubChem CID 62307797) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine
PubChem CID62307797
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(N2CCCC(C)C2C)c1
InChIInChI=1S/C15H24N2/c1-11-6-7-14(10-16)15(9-11)17-8-4-5-12(2)13(17)3/h6-7,9,12-13H,4-5,8,10,16H2,1-3H3
InChIKeyXLFZNTGNGDSOCH-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine?
The IUPAC name of [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine (CID 62307797) is [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine is Cc1ccc(CN)c(N2CCCC(C)C2C)c1.
What is the InChIKey of [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine?
The InChIKey is XLFZNTGNGDSOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-7-14(10-16)15(9-11)17-8-4-5-12(2)13(17)3/h6-7,9,12-13H,4-5,8,10,16H2,1-3H3.
What are the key properties of [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine?
[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine is sourced from PubChem (CID 62307797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).