4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine

C13H29N3O — CID 62546048

IUPAC4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
SMILESCOCCC(C)(CN)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H29N3O/c1-13(11-14,7-9-17-4)16(3)12-6-5-8-15(2)10-12/h12H,5-11,14H2,1-4H3
InChIKeyOMFKNYDPBLTDIG-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds6

About 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine

4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine (PubChem CID 62546048) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
PubChem CID62546048
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
SMILESCOCCC(C)(CN)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H29N3O/c1-13(11-14,7-9-17-4)16(3)12-6-5-8-15(2)10-12/h12H,5-11,14H2,1-4H3
InChIKeyOMFKNYDPBLTDIG-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine 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 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine (CID 62546048) is 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine is COCCC(C)(CN)N(C)C1CCCN(C)C1.
What is the InChIKey of 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The InChIKey is OMFKNYDPBLTDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(11-14,7-9-17-4)16(3)12-6-5-8-15(2)10-12/h12H,5-11,14H2,1-4H3.
What are the key properties of 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine is sourced from PubChem (CID 62546048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).