piperidine-1-carboximidamide;hydrochloride

C6H14ClN3 — CID 11217425

IUPACpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/C6H13N3.ClH/c7-6(8)9-4-2-1-3-5-9;/h1-5H2,(H3,7,8);1H
InChIKeyAGVOIHMRBFEGBE-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.79
Rot. Bonds

About piperidine-1-carboximidamide;hydrochloride

piperidine-1-carboximidamide;hydrochloride (PubChem CID 11217425) has the molecular formula C6H14ClN3 and a molecular weight of 163.65 g/mol. Its IUPAC name is piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Namepiperidine-1-carboximidamide;hydrochloride
PubChem CID11217425
Molecular FormulaC6H14ClN3
Molecular Weight163.65 g/mol
Exact Mass163.09
IUPAC Namepiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/C6H13N3.ClH/c7-6(8)9-4-2-1-3-5-9;/h1-5H2,(H3,7,8);1H
InChIKeyAGVOIHMRBFEGBE-UHFFFAOYSA-N
XLogP0.79
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.79
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'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of piperidine-1-carboximidamide;hydrochloride (CID 11217425) is piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for piperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCCCC1.
What is the InChIKey of piperidine-1-carboximidamide;hydrochloride?
The InChIKey is AGVOIHMRBFEGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.ClH/c7-6(8)9-4-2-1-3-5-9;/h1-5H2,(H3,7,8);1H.
What are the key properties of piperidine-1-carboximidamide;hydrochloride?
piperidine-1-carboximidamide;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 11217425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).