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

C9H20N2O — CID 2761027

IUPACN-(2-methoxyethyl)-1-methylpiperidin-4-amine
SMILESCOCCNC1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)10-5-8-12-2/h9-10H,3-8H2,1-2H3
InChIKeyYZYMRSNKBLZRJK-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds4

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

N-(2-methoxyethyl)-1-methylpiperidin-4-amine (PubChem CID 2761027) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylpiperidin-4-amine
PubChem CID2761027
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(2-methoxyethyl)-1-methylpiperidin-4-amine
SMILESCOCCNC1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)10-5-8-12-2/h9-10H,3-8H2,1-2H3
InChIKeyYZYMRSNKBLZRJK-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
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 N-(2-methoxyethyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methylpiperidin-4-amine (CID 2761027) is N-(2-methoxyethyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methylpiperidin-4-amine is COCCNC1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-methylpiperidin-4-amine?
The InChIKey is YZYMRSNKBLZRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)10-5-8-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methylpiperidin-4-amine?
N-(2-methoxyethyl)-1-methylpiperidin-4-amine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 2761027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).