2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

C19H32N2 — CID 63467078

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(CN1CC(C)CC(C)C1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-14(2)17-6-8-18(9-7-17)19(20-5)13-21-11-15(3)10-16(4)12-21/h6-9,14-16,19-20H,10-13H2,1-5H3
InChIKeySADTXESTXPGRRE-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds5

About 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63467078) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63467078
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(CN1CC(C)CC(C)C1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-14(2)17-6-8-18(9-7-17)19(20-5)13-21-11-15(3)10-16(4)12-21/h6-9,14-16,19-20H,10-13H2,1-5H3
InChIKeySADTXESTXPGRRE-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.05
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)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (CID 63467078) is 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is CNC(CN1CC(C)CC(C)C1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is SADTXESTXPGRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)17-6-8-18(9-7-17)19(20-5)13-21-11-15(3)10-16(4)12-21/h6-9,14-16,19-20H,10-13H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 5 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)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63467078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).