2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine

C15H32N2O — CID 62271911

IUPAC2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCCC(OCC)C1
InChIInChI=1S/C15H32N2O/c1-5-9-15(3,12-16-4)13-17-10-7-8-14(11-17)18-6-2/h14,16H,5-13H2,1-4H3
InChIKeyLFWUALQWMJRJDJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine

2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 62271911) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID62271911
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCCC(OCC)C1
InChIInChI=1S/C15H32N2O/c1-5-9-15(3,12-16-4)13-17-10-7-8-14(11-17)18-6-2/h14,16H,5-13H2,1-4H3
InChIKeyLFWUALQWMJRJDJ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine (CID 62271911) is 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)CN1CCCC(OCC)C1.
What is the InChIKey of 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is LFWUALQWMJRJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-9-15(3,12-16-4)13-17-10-7-8-14(11-17)18-6-2/h14,16H,5-13H2,1-4H3.
What are the key properties of 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 62271911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).