4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride

C10H23Cl2N3 — CID 47002875

IUPAC4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCCN1CCCC(C)C1
InChIInChI=1S/C10H21N3.2ClH/c1-9-4-2-6-13(8-9)7-3-5-10(11)12;;/h9H,2-8H2,1H3,(H3,11,12);2*1H
InChIKeyDBAPAADHTWPGIS-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.28
Rot. Bonds4

About 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride

4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride (PubChem CID 47002875) has the molecular formula C10H23Cl2N3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride
PubChem CID47002875
Molecular FormulaC10H23Cl2N3
Molecular Weight256.22 g/mol
Exact Mass255.13
IUPAC Name4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCCN1CCCC(C)C1
InChIInChI=1S/C10H21N3.2ClH/c1-9-4-2-6-13(8-9)7-3-5-10(11)12;;/h9H,2-8H2,1H3,(H3,11,12);2*1H
InChIKeyDBAPAADHTWPGIS-UHFFFAOYSA-N
XLogP2.28
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.28
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-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride?
The IUPAC name of 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride (CID 47002875) is 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCCN1CCCC(C)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride?
The InChIKey is DBAPAADHTWPGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.2ClH/c1-9-4-2-6-13(8-9)7-3-5-10(11)12;;/h9H,2-8H2,1H3,(H3,11,12);2*1H.
What are the key properties of 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride?
4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride has a molecular weight of 256.22 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)butanimidamide;dihydrochloride is sourced from PubChem (CID 47002875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).