3-piperidin-1-ylpropanimidamide;dihydrochloride

C8H19Cl2N3 — CID 71758724

IUPAC3-piperidin-1-ylpropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN1CCCCC1
InChIInChI=1S/C8H17N3.2ClH/c9-8(10)4-7-11-5-2-1-3-6-11;;/h1-7H2,(H3,9,10);2*1H
InChIKeyUHXILJNSXBHMQX-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.64
Rot. Bonds3

About 3-piperidin-1-ylpropanimidamide;dihydrochloride

3-piperidin-1-ylpropanimidamide;dihydrochloride (PubChem CID 71758724) has the molecular formula C8H19Cl2N3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 3-piperidin-1-ylpropanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylpropanimidamide;dihydrochloride
PubChem CID71758724
Molecular FormulaC8H19Cl2N3
Molecular Weight228.17 g/mol
Exact Mass227.10
IUPAC Name3-piperidin-1-ylpropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN1CCCCC1
InChIInChI=1S/C8H17N3.2ClH/c9-8(10)4-7-11-5-2-1-3-6-11;;/h1-7H2,(H3,9,10);2*1H
InChIKeyUHXILJNSXBHMQX-UHFFFAOYSA-N
XLogP1.64
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.64
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 3-piperidin-1-ylpropanimidamide;dihydrochloride?
The IUPAC name of 3-piperidin-1-ylpropanimidamide;dihydrochloride (CID 71758724) is 3-piperidin-1-ylpropanimidamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-1-ylpropanimidamide;dihydrochloride?
The canonical SMILES for 3-piperidin-1-ylpropanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropanimidamide;dihydrochloride?
The InChIKey is UHXILJNSXBHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.2ClH/c9-8(10)4-7-11-5-2-1-3-6-11;;/h1-7H2,(H3,9,10);2*1H.
What are the key properties of 3-piperidin-1-ylpropanimidamide;dihydrochloride?
3-piperidin-1-ylpropanimidamide;dihydrochloride has a molecular weight of 228.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropanimidamide;dihydrochloride is sourced from PubChem (CID 71758724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).