N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine

C9H20N2O — CID 64973733

IUPACN-methoxy-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCONCCC1CCCCN1C
InChIInChI=1S/C9H20N2O/c1-11-8-4-3-5-9(11)6-7-10-12-2/h9-10H,3-8H2,1-2H3
InChIKeyVSBACDXWEARBKZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds4

About N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine

N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 64973733) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methoxy-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID64973733
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-methoxy-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCONCCC1CCCCN1C
InChIInChI=1S/C9H20N2O/c1-11-8-4-3-5-9(11)6-7-10-12-2/h9-10H,3-8H2,1-2H3
InChIKeyVSBACDXWEARBKZ-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine (CID 64973733) is N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine is CONCCC1CCCCN1C.
What is the InChIKey of N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is VSBACDXWEARBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-8-4-3-5-9(11)6-7-10-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine?
N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 64973733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).