3-methylpiperidine-1-carboximidamide

C7H15N3 — CID 12011844

IUPAC3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C7H15N3/c1-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyMUIXBWMLQDSNIW-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.61
Rot. Bonds

About 3-methylpiperidine-1-carboximidamide

3-methylpiperidine-1-carboximidamide (PubChem CID 12011844) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methylpiperidine-1-carboximidamide
PubChem CID12011844
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C7H15N3/c1-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyMUIXBWMLQDSNIW-UHFFFAOYSA-N
XLogP0.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-methylpiperidine-1-carboximidamide 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

Piperidine-1-carboxamidine
CID 205051
4-Methylpiperidine-1-carboximidamide
CID 3056395
Piperidine-1-carboximidamide Hydroiodide
CID 2778397
Piperidine-1-carboximidamide Hydrochloride
CID 11217425
3-(Fluoromethyl)piperidine-1-carboximidamide
CID 121200973
2-Fluoro-3-methylpiperidine-1-carboximidamide
CID 174885218
1-Amidino-2,5-dimethylpiperidine
CID 65657996
3-(Trifluoromethyl)piperidine-1-carboximidamide
CID 60723760
4-(Fluoromethyl)piperidine-1-carboximidamide
CID 121200933
3-(Difluoromethyl)piperidine-1-carboximidamide
CID 121201123
3-(1,1-Difluoroethyl)piperidine-1-carboximidamide
CID 121202532
(3R)-3-(fluoromethyl)piperidine-1-carboximidamide
CID 129493785

Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidine-1-carboximidamide?
The IUPAC name of 3-methylpiperidine-1-carboximidamide (CID 12011844) is 3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-methylpiperidine-1-carboximidamide?
The canonical SMILES for 3-methylpiperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of 3-methylpiperidine-1-carboximidamide?
The InChIKey is MUIXBWMLQDSNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9).
What are the key properties of 3-methylpiperidine-1-carboximidamide?
3-methylpiperidine-1-carboximidamide has a molecular weight of 141.22 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 12011844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).