1-(2-ethoxyethyl)-N-methylpiperidin-4-amine

C10H22N2O — CID 43591115

IUPAC1-(2-ethoxyethyl)-N-methylpiperidin-4-amine
SMILESCCOCCN1CCC(NC)CC1
InChIInChI=1S/C10H22N2O/c1-3-13-9-8-12-6-4-10(11-2)5-7-12/h10-11H,3-9H2,1-2H3
InChIKeyHTNXCNLMMNOIMS-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine

1-(2-ethoxyethyl)-N-methylpiperidin-4-amine (PubChem CID 43591115) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-methylpiperidin-4-amine
PubChem CID43591115
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(2-ethoxyethyl)-N-methylpiperidin-4-amine
SMILESCCOCCN1CCC(NC)CC1
InChIInChI=1S/C10H22N2O/c1-3-13-9-8-12-6-4-10(11-2)5-7-12/h10-11H,3-9H2,1-2H3
InChIKeyHTNXCNLMMNOIMS-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine (CID 43591115) is 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine is CCOCCN1CCC(NC)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine?
The InChIKey is HTNXCNLMMNOIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-13-9-8-12-6-4-10(11-2)5-7-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine?
1-(2-ethoxyethyl)-N-methylpiperidin-4-amine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 43591115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).