(4-methylpiperidin-1-yl)methanediamine

C7H17N3 — CID 18727760

IUPAC(4-methylpiperidin-1-yl)methanediamine
SMILESCC1CCN(C(N)N)CC1
InChIInChI=1S/C7H17N3/c1-6-2-4-10(5-3-6)7(8)9/h6-7H,2-5,8-9H2,1H3
InChIKeyJOEOVXSIHVYBKU-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.08
Rot. Bonds1

About (4-methylpiperidin-1-yl)methanediamine

(4-methylpiperidin-1-yl)methanediamine (PubChem CID 18727760) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)methanediamine.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)methanediamine
PubChem CID18727760
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name(4-methylpiperidin-1-yl)methanediamine
SMILESCC1CCN(C(N)N)CC1
InChIInChI=1S/C7H17N3/c1-6-2-4-10(5-3-6)7(8)9/h6-7H,2-5,8-9H2,1H3
InChIKeyJOEOVXSIHVYBKU-UHFFFAOYSA-N
XLogP-0.08
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-methylpiperidin-1-yl)methanediamine 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-methylpiperidin-1-yl)methanediamine?
The IUPAC name of (4-methylpiperidin-1-yl)methanediamine (CID 18727760) is (4-methylpiperidin-1-yl)methanediamine.
What is the SMILES notation for (4-methylpiperidin-1-yl)methanediamine?
The canonical SMILES for (4-methylpiperidin-1-yl)methanediamine is CC1CCN(C(N)N)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)methanediamine?
The InChIKey is JOEOVXSIHVYBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6-2-4-10(5-3-6)7(8)9/h6-7H,2-5,8-9H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)methanediamine?
(4-methylpiperidin-1-yl)methanediamine has a molecular weight of 143.23 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)methanediamine is sourced from PubChem (CID 18727760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).