3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine

C12H26N2O — CID 63123220

IUPAC3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCOCCCN(C)CC1(C)CCNCC1
InChIInChI=1S/C12H26N2O/c1-12(5-7-13-8-6-12)11-14(2)9-4-10-15-3/h13H,4-11H2,1-3H3
InChIKeyWOENDLLTQXQHPK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds6

About 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine

3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 63123220) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID63123220
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine
SMILESCOCCCN(C)CC1(C)CCNCC1
InChIInChI=1S/C12H26N2O/c1-12(5-7-13-8-6-12)11-14(2)9-4-10-15-3/h13H,4-11H2,1-3H3
InChIKeyWOENDLLTQXQHPK-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine (CID 63123220) is 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine is COCCCN(C)CC1(C)CCNCC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is WOENDLLTQXQHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(5-7-13-8-6-12)11-14(2)9-4-10-15-3/h13H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine?
3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 63123220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).