2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine

C16H26N2 — CID 16795154

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CN1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-12-8-13(2)10-18(9-12)11-16(17)15-7-5-4-6-14(15)3/h4-7,12-13,16H,8-11,17H2,1-3H3
InChIKeyPGOHORBXAZVPRI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.97
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 16795154) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
PubChem CID16795154
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CN1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-12-8-13(2)10-18(9-12)11-16(17)15-7-5-4-6-14(15)3/h4-7,12-13,16H,8-11,17H2,1-3H3
InChIKeyPGOHORBXAZVPRI-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine (CID 16795154) is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is PGOHORBXAZVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-13(2)10-18(9-12)11-16(17)15-7-5-4-6-14(15)3/h4-7,12-13,16H,8-11,17H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine?
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 16795154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).