5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine

C8H19N3O — CID 20705160

IUPAC5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine
SMILESCNC1CC(OC)CN(NC)C1
InChIInChI=1S/C8H19N3O/c1-9-7-4-8(12-3)6-11(5-7)10-2/h7-10H,4-6H2,1-3H3
InChIKeySWLUZVVVJVAAMZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.57
Rot. Bonds3

About 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine

5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine (PubChem CID 20705160) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine
PubChem CID20705160
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine
SMILESCNC1CC(OC)CN(NC)C1
InChIInChI=1S/C8H19N3O/c1-9-7-4-8(12-3)6-11(5-7)10-2/h7-10H,4-6H2,1-3H3
InChIKeySWLUZVVVJVAAMZ-UHFFFAOYSA-N
XLogP-0.57
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine?
The IUPAC name of 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine (CID 20705160) is 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine.
What is the SMILES notation for 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine?
The canonical SMILES for 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine is CNC1CC(OC)CN(NC)C1.
What is the InChIKey of 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine?
The InChIKey is SWLUZVVVJVAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-9-7-4-8(12-3)6-11(5-7)10-2/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine?
5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine has a molecular weight of 173.26 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N,3-N-dimethylpiperidine-1,3-diamine is sourced from PubChem (CID 20705160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).