N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride

C7H16ClN5 — CID 176520684

IUPACN'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N1CCCCC1
InChIInChI=1S/C7H15N5.ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;/h1-5H2,(H5,8,9,10,11);1H
InChIKeyNTWJSLQBBNIHNO-UHFFFAOYSA-N
MW205.69 g/mol
LogP0.10
Rot. Bonds

About N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride

N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride (PubChem CID 176520684) has the molecular formula C7H16ClN5 and a molecular weight of 205.69 g/mol. Its IUPAC name is N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride
PubChem CID176520684
Molecular FormulaC7H16ClN5
Molecular Weight205.69 g/mol
Exact Mass205.11
IUPAC NameN'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N1CCCCC1
InChIInChI=1S/C7H15N5.ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;/h1-5H2,(H5,8,9,10,11);1H
InChIKeyNTWJSLQBBNIHNO-UHFFFAOYSA-N
XLogP0.10
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 50.10
H-Bond Donors ≤ 53
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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Related Compounds

Piperidine-1-carboxamidine
CID 205051
1,1-Dipentylbiguanide
CID 176528677
Biguanide, 1,1-dipentyl-
CID 58403
N-(imino(1-piperidinyl)methyl)guanidine
CID 199683
Piperidine-1-carboximidamide Hydroiodide
CID 2778397
1-Piperidinecarboximidamide, N-(aminoiminomethyl)-, hydrochloride (1:1)
CID 199682
Piperidine-1-carboximidamide Hydrochloride
CID 11217425
N-(Imino(piperidin-1-yl)methyl)piperidine-1-carboximidamide
CID 72699399
N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 122656870
N'-carbamimidoyl-4,4-difluoropiperidine-1-carboximidamide
CID 122656871
N'-carbamimidoylpiperidine-1-carboximidamide
CID 137346488
CID 140856271
CID 140856271

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride (CID 176520684) is N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride?
The InChIKey is NTWJSLQBBNIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5.ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;/h1-5H2,(H5,8,9,10,11);1H.
What are the key properties of N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride?
N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoylpiperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 176520684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).