4-piperidin-1-ylbutanimidamide;dihydrochloride

C9H21Cl2N3 — CID 47002373

IUPAC4-piperidin-1-ylbutanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCCN1CCCCC1
InChIInChI=1S/C9H19N3.2ClH/c10-9(11)5-4-8-12-6-2-1-3-7-12;;/h1-8H2,(H3,10,11);2*1H
InChIKeyJIWMLJRXHOCTEV-UHFFFAOYSA-N
MW242.19 g/mol
LogP2.03
Rot. Bonds4

About 4-piperidin-1-ylbutanimidamide;dihydrochloride

4-piperidin-1-ylbutanimidamide;dihydrochloride (PubChem CID 47002373) has the molecular formula C9H21Cl2N3 and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-piperidin-1-ylbutanimidamide;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-1-ylbutanimidamide;dihydrochloride
PubChem CID47002373
Molecular FormulaC9H21Cl2N3
Molecular Weight242.19 g/mol
Exact Mass241.11
IUPAC Name4-piperidin-1-ylbutanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCCN1CCCCC1
InChIInChI=1S/C9H19N3.2ClH/c10-9(11)5-4-8-12-6-2-1-3-7-12;;/h1-8H2,(H3,10,11);2*1H
InChIKeyJIWMLJRXHOCTEV-UHFFFAOYSA-N
XLogP2.03
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 52.03
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 4-piperidin-1-ylbutanimidamide;dihydrochloride?
The IUPAC name of 4-piperidin-1-ylbutanimidamide;dihydrochloride (CID 47002373) is 4-piperidin-1-ylbutanimidamide;dihydrochloride.
What is the SMILES notation for 4-piperidin-1-ylbutanimidamide;dihydrochloride?
The canonical SMILES for 4-piperidin-1-ylbutanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutanimidamide;dihydrochloride?
The InChIKey is JIWMLJRXHOCTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.2ClH/c10-9(11)5-4-8-12-6-2-1-3-7-12;;/h1-8H2,(H3,10,11);2*1H.
What are the key properties of 4-piperidin-1-ylbutanimidamide;dihydrochloride?
4-piperidin-1-ylbutanimidamide;dihydrochloride has a molecular weight of 242.19 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutanimidamide;dihydrochloride is sourced from PubChem (CID 47002373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).