3-methylpiperidine-1-carboximidamide;hydrochloride

C7H16ClN3 — CID 46736522

IUPAC3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C7H15N3.ClH/c1-6-3-2-4-10(5-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H
InChIKeyQBBCJLHPCGMXPP-UHFFFAOYSA-N
MW177.68 g/mol
LogP1.03
Rot. Bonds

About 3-methylpiperidine-1-carboximidamide;hydrochloride

3-methylpiperidine-1-carboximidamide;hydrochloride (PubChem CID 46736522) has the molecular formula C7H16ClN3 and a molecular weight of 177.68 g/mol. Its IUPAC name is 3-methylpiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methylpiperidine-1-carboximidamide;hydrochloride
PubChem CID46736522
Molecular FormulaC7H16ClN3
Molecular Weight177.68 g/mol
Exact Mass177.10
IUPAC Name3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C7H15N3.ClH/c1-6-3-2-4-10(5-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H
InChIKeyQBBCJLHPCGMXPP-UHFFFAOYSA-N
XLogP1.03
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.68
LogP ≤ 51.03
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;hydrochloride 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 3-methylpiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of 3-methylpiperidine-1-carboximidamide;hydrochloride (CID 46736522) is 3-methylpiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-methylpiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-methylpiperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of 3-methylpiperidine-1-carboximidamide;hydrochloride?
The InChIKey is QBBCJLHPCGMXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.ClH/c1-6-3-2-4-10(5-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H.
What are the key properties of 3-methylpiperidine-1-carboximidamide;hydrochloride?
3-methylpiperidine-1-carboximidamide;hydrochloride has a molecular weight of 177.68 g/mol, XLogP of 1.03, 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;hydrochloride is sourced from PubChem (CID 46736522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).