4-N'-methylpiperidine-4,4-diamine

C6H15N3 — CID 167022021

IUPAC4-N'-methylpiperidine-4,4-diamine
SMILESCNC1(N)CCNCC1
InChIInChI=1S/C6H15N3/c1-8-6(7)2-4-9-5-3-6/h8-9H,2-5,7H2,1H3
InChIKeyYUKZWZFBLFSTPL-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.76
Rot. Bonds1

About 4-N'-methylpiperidine-4,4-diamine

4-N'-methylpiperidine-4,4-diamine (PubChem CID 167022021) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 4-N'-methylpiperidine-4,4-diamine.

Molecular Properties

Compound Name4-N'-methylpiperidine-4,4-diamine
PubChem CID167022021
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name4-N'-methylpiperidine-4,4-diamine
SMILESCNC1(N)CCNCC1
InChIInChI=1S/C6H15N3/c1-8-6(7)2-4-9-5-3-6/h8-9H,2-5,7H2,1H3
InChIKeyYUKZWZFBLFSTPL-UHFFFAOYSA-N
XLogP-0.76
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N'-methylpiperidine-4,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N,4-N'-dimethylpiperidine-4,4-diamine
CID 91177983
1-N'-methylcyclooctane-1,1-diamine
CID 70269680
N,4-dimethylpiperidin-4-amine;ethane
CID 162525736
(4-methoxypiperidin-4-yl)methanamine
CID 84648969
4-methoxypiperidin-4-amine
CID 105427555
ethane;N-methyl-4-phenylpiperidin-4-amine
CID 142022030
4-ethylpiperidin-4-amine;dihydrochloride
CID 86276736
ethane;N-methyl-4-propylpiperidin-4-amine
CID 144797680
methyl 4-aminopiperidine-4-carboxylate
CID 22907215
4-(4-methylphenyl)piperidin-4-amine
CID 70264998
(4-methoxyazepan-4-yl)methanamine
CID 105431048
N,N,4-trimethylpiperidin-4-amine;dihydrochloride
CID 57481577

Frequently Asked Questions

What is the IUPAC name of 4-N'-methylpiperidine-4,4-diamine?
The IUPAC name of 4-N'-methylpiperidine-4,4-diamine (CID 167022021) is 4-N'-methylpiperidine-4,4-diamine.
What is the SMILES notation for 4-N'-methylpiperidine-4,4-diamine?
The canonical SMILES for 4-N'-methylpiperidine-4,4-diamine is CNC1(N)CCNCC1.
What is the InChIKey of 4-N'-methylpiperidine-4,4-diamine?
The InChIKey is YUKZWZFBLFSTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-8-6(7)2-4-9-5-3-6/h8-9H,2-5,7H2,1H3.
What are the key properties of 4-N'-methylpiperidine-4,4-diamine?
4-N'-methylpiperidine-4,4-diamine has a molecular weight of 129.21 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-methylpiperidine-4,4-diamine is sourced from PubChem (CID 167022021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).