1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine

C16H26N2 — CID 82295600

IUPAC1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine
SMILESCc1cccc(CCN2CCC(C)(N)CC2)c1C
InChIInChI=1S/C16H26N2/c1-13-5-4-6-15(14(13)2)7-10-18-11-8-16(3,17)9-12-18/h4-6H,7-12,17H2,1-3H3
InChIKeyAOWNLILILSXXLF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine

1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine (PubChem CID 82295600) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine
PubChem CID82295600
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine
SMILESCc1cccc(CCN2CCC(C)(N)CC2)c1C
InChIInChI=1S/C16H26N2/c1-13-5-4-6-15(14(13)2)7-10-18-11-8-16(3,17)9-12-18/h4-6H,7-12,17H2,1-3H3
InChIKeyAOWNLILILSXXLF-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine (CID 82295600) is 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine is Cc1cccc(CCN2CCC(C)(N)CC2)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine?
The InChIKey is AOWNLILILSXXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-5-4-6-15(14(13)2)7-10-18-11-8-16(3,17)9-12-18/h4-6H,7-12,17H2,1-3H3.
What are the key properties of 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine?
1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 82295600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).