1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride

C10H15ClN2O2 — CID 71758084

IUPAC1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.O=C1C=CC(=O)N1CC1CCNCC1
InChIInChI=1S/C10H14N2O2.ClH/c13-9-1-2-10(14)12(9)7-8-3-5-11-6-4-8;/h1-2,8,11H,3-7H2;1H
InChIKeyZBGMVUTXQPUMBH-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.33
Rot. Bonds2

About 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride

1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride (PubChem CID 71758084) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride
PubChem CID71758084
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.O=C1C=CC(=O)N1CC1CCNCC1
InChIInChI=1S/C10H14N2O2.ClH/c13-9-1-2-10(14)12(9)7-8-3-5-11-6-4-8;/h1-2,8,11H,3-7H2;1H
InChIKeyZBGMVUTXQPUMBH-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride (CID 71758084) is 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride is Cl.O=C1C=CC(=O)N1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is ZBGMVUTXQPUMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c13-9-1-2-10(14)12(9)7-8-3-5-11-6-4-8;/h1-2,8,11H,3-7H2;1H.
What are the key properties of 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride?
1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 71758084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).