3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride

C8H20Cl2N4 — CID 19082936

IUPAC3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCCC(CNC)C1
InChIInChI=1S/C8H18N4.2ClH/c1-11-5-7-3-2-4-12(6-7)8(9)10;;/h7,11H,2-6H2,1H3,(H3,9,10);2*1H
InChIKeyIUVTZJNYOUWXDG-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.65
Rot. Bonds2

About 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride

3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride (PubChem CID 19082936) has the molecular formula C8H20Cl2N4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride
PubChem CID19082936
Molecular FormulaC8H20Cl2N4
Molecular Weight243.18 g/mol
Exact Mass242.11
IUPAC Name3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCCC(CNC)C1
InChIInChI=1S/C8H18N4.2ClH/c1-11-5-7-3-2-4-12(6-7)8(9)10;;/h7,11H,2-6H2,1H3,(H3,9,10);2*1H
InChIKeyIUVTZJNYOUWXDG-UHFFFAOYSA-N
XLogP0.65
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.65
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride?
The IUPAC name of 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride (CID 19082936) is 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride?
The canonical SMILES for 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)N1CCCC(CNC)C1.
What is the InChIKey of 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride?
The InChIKey is IUVTZJNYOUWXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4.2ClH/c1-11-5-7-3-2-4-12(6-7)8(9)10;;/h7,11H,2-6H2,1H3,(H3,9,10);2*1H.
What are the key properties of 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride?
3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)piperidine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 19082936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).