4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride

C7H18Cl2N4 — CID 2756503

IUPAC4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCC(CN)CC1
InChIInChI=1S/C7H16N4.2ClH/c8-5-6-1-3-11(4-2-6)7(9)10;;/h6H,1-5,8H2,(H3,9,10);2*1H
InChIKeySCYHILJFOFBJDF-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.39
Rot. Bonds1

About 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride

4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride (PubChem CID 2756503) has the molecular formula C7H18Cl2N4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride
PubChem CID2756503
Molecular FormulaC7H18Cl2N4
Molecular Weight229.15 g/mol
Exact Mass228.09
IUPAC Name4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCC(CN)CC1
InChIInChI=1S/C7H16N4.2ClH/c8-5-6-1-3-11(4-2-6)7(9)10;;/h6H,1-5,8H2,(H3,9,10);2*1H
InChIKeySCYHILJFOFBJDF-UHFFFAOYSA-N
XLogP0.39
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride 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-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride (CID 2756503) is 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride?
The InChIKey is SCYHILJFOFBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4.2ClH/c8-5-6-1-3-11(4-2-6)7(9)10;;/h6H,1-5,8H2,(H3,9,10);2*1H.
What are the key properties of 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride?
4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 2756503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).