1-methylpiperidine-2-carboximidamide;dihydrochloride

C7H17Cl2N3 — CID 42614743

IUPAC1-methylpiperidine-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C1CCCCN1C
InChIInChI=1S/C7H15N3.2ClH/c1-10-5-3-2-4-6(10)7(8)9;;/h6H,2-5H2,1H3,(H3,8,9);2*1H
InChIKeyZHLWOCAXWOLKCL-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.25
Rot. Bonds1

About 1-methylpiperidine-2-carboximidamide;dihydrochloride

1-methylpiperidine-2-carboximidamide;dihydrochloride (PubChem CID 42614743) has the molecular formula C7H17Cl2N3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 1-methylpiperidine-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name1-methylpiperidine-2-carboximidamide;dihydrochloride
PubChem CID42614743
Molecular FormulaC7H17Cl2N3
Molecular Weight214.14 g/mol
Exact Mass213.08
IUPAC Name1-methylpiperidine-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C1CCCCN1C
InChIInChI=1S/C7H15N3.2ClH/c1-10-5-3-2-4-6(10)7(8)9;;/h6H,2-5H2,1H3,(H3,8,9);2*1H
InChIKeyZHLWOCAXWOLKCL-UHFFFAOYSA-N
XLogP1.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-methylpiperidine-2-carboximidamide;dihydrochloride?
The IUPAC name of 1-methylpiperidine-2-carboximidamide;dihydrochloride (CID 42614743) is 1-methylpiperidine-2-carboximidamide;dihydrochloride.
What is the SMILES notation for 1-methylpiperidine-2-carboximidamide;dihydrochloride?
The canonical SMILES for 1-methylpiperidine-2-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C1CCCCN1C.
What is the InChIKey of 1-methylpiperidine-2-carboximidamide;dihydrochloride?
The InChIKey is ZHLWOCAXWOLKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.2ClH/c1-10-5-3-2-4-6(10)7(8)9;;/h6H,2-5H2,1H3,(H3,8,9);2*1H.
What are the key properties of 1-methylpiperidine-2-carboximidamide;dihydrochloride?
1-methylpiperidine-2-carboximidamide;dihydrochloride has a molecular weight of 214.14 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 42614743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).