1-ethyl-5-methoxy-N-methylpiperidin-3-amine

C9H20N2O — CID 20705141

IUPAC1-ethyl-5-methoxy-N-methylpiperidin-3-amine
SMILESCCN1CC(NC)CC(OC)C1
InChIInChI=1S/C9H20N2O/c1-4-11-6-8(10-2)5-9(7-11)12-3/h8-10H,4-7H2,1-3H3
InChIKeyVKDBIKFDIFEBQK-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds3

About 1-ethyl-5-methoxy-N-methylpiperidin-3-amine

1-ethyl-5-methoxy-N-methylpiperidin-3-amine (PubChem CID 20705141) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-5-methoxy-N-methylpiperidin-3-amine
PubChem CID20705141
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-ethyl-5-methoxy-N-methylpiperidin-3-amine
SMILESCCN1CC(NC)CC(OC)C1
InChIInChI=1S/C9H20N2O/c1-4-11-6-8(10-2)5-9(7-11)12-3/h8-10H,4-7H2,1-3H3
InChIKeyVKDBIKFDIFEBQK-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 1-ethyl-5-methoxy-N-methylpiperidin-3-amine?
The IUPAC name of 1-ethyl-5-methoxy-N-methylpiperidin-3-amine (CID 20705141) is 1-ethyl-5-methoxy-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-ethyl-5-methoxy-N-methylpiperidin-3-amine?
The canonical SMILES for 1-ethyl-5-methoxy-N-methylpiperidin-3-amine is CCN1CC(NC)CC(OC)C1.
What is the InChIKey of 1-ethyl-5-methoxy-N-methylpiperidin-3-amine?
The InChIKey is VKDBIKFDIFEBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-11-6-8(10-2)5-9(7-11)12-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-5-methoxy-N-methylpiperidin-3-amine?
1-ethyl-5-methoxy-N-methylpiperidin-3-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 1-ethyl-5-methoxy-N-methylpiperidin-3-amine is sourced from PubChem (CID 20705141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).