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

C18H28N2 — CID 79982377

IUPAC2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2ccccc2C2CC2)C1
InChIInChI=1S/C18H28N2/c1-13-9-14(2)12-20(11-13)18(10-19)17-6-4-3-5-16(17)15-7-8-15/h3-6,13-15,18H,7-12,19H2,1-2H3
InChIKeyMUNZNRODSNZESN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.54
Rot. Bonds4

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

2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 79982377) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID79982377
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2ccccc2C2CC2)C1
InChIInChI=1S/C18H28N2/c1-13-9-14(2)12-20(11-13)18(10-19)17-6-4-3-5-16(17)15-7-8-15/h3-6,13-15,18H,7-12,19H2,1-2H3
InChIKeyMUNZNRODSNZESN-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (CID 79982377) is 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is CC1CC(C)CN(C(CN)c2ccccc2C2CC2)C1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is MUNZNRODSNZESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-9-14(2)12-20(11-13)18(10-19)17-6-4-3-5-16(17)15-7-8-15/h3-6,13-15,18H,7-12,19H2,1-2H3.
What are the key properties of 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 79982377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).