N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride

C8H18ClN5 — CID 176523223

IUPACN-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/C)N1CCCCC1
InChIInChI=1S/C8H17N5.ClH/c1-11-7(9)12-8(10)13-5-3-2-4-6-13;/h2-6H2,1H3,(H4,9,10,11,12);1H
InChIKeyBNIZNLIZAVLIOG-UHFFFAOYSA-N
MW219.72 g/mol
LogP0.36
Rot. Bonds

About N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride

N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride (PubChem CID 176523223) has the molecular formula C8H18ClN5 and a molecular weight of 219.72 g/mol. Its IUPAC name is N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
PubChem CID176523223
Molecular FormulaC8H18ClN5
Molecular Weight219.72 g/mol
Exact Mass219.13
IUPAC NameN-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/C)N1CCCCC1
InChIInChI=1S/C8H17N5.ClH/c1-11-7(9)12-8(10)13-5-3-2-4-6-13;/h2-6H2,1H3,(H4,9,10,11,12);1H
InChIKeyBNIZNLIZAVLIOG-UHFFFAOYSA-N
XLogP0.36
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.36
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 N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride (CID 176523223) is N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N/C(N)=N/C)N1CCCCC1.
What is the InChIKey of N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride?
The InChIKey is BNIZNLIZAVLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5.ClH/c1-11-7(9)12-8(10)13-5-3-2-4-6-13;/h2-6H2,1H3,(H4,9,10,11,12);1H.
What are the key properties of N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride?
N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 176523223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).