3-ethoxy-N,1-dimethylpiperidin-4-amine

C9H20N2O — CID 130372113

IUPAC3-ethoxy-N,1-dimethylpiperidin-4-amine
SMILESCCOC1CN(C)CCC1NC
InChIInChI=1S/C9H20N2O/c1-4-12-9-7-11(3)6-5-8(9)10-2/h8-10H,4-7H2,1-3H3
InChIKeyAAGSCUYAJJCVIA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds3

About 3-ethoxy-N,1-dimethylpiperidin-4-amine

3-ethoxy-N,1-dimethylpiperidin-4-amine (PubChem CID 130372113) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethoxy-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethoxy-N,1-dimethylpiperidin-4-amine
PubChem CID130372113
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-ethoxy-N,1-dimethylpiperidin-4-amine
SMILESCCOC1CN(C)CCC1NC
InChIInChI=1S/C9H20N2O/c1-4-12-9-7-11(3)6-5-8(9)10-2/h8-10H,4-7H2,1-3H3
InChIKeyAAGSCUYAJJCVIA-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,1-dimethylpiperidin-4-amine?
The IUPAC name of 3-ethoxy-N,1-dimethylpiperidin-4-amine (CID 130372113) is 3-ethoxy-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for 3-ethoxy-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for 3-ethoxy-N,1-dimethylpiperidin-4-amine is CCOC1CN(C)CCC1NC.
What is the InChIKey of 3-ethoxy-N,1-dimethylpiperidin-4-amine?
The InChIKey is AAGSCUYAJJCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-12-9-7-11(3)6-5-8(9)10-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-N,1-dimethylpiperidin-4-amine?
3-ethoxy-N,1-dimethylpiperidin-4-amine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 130372113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).