5-piperidin-4-ylpyrrolidin-2-one;hydrochloride

C9H17ClN2O — CID 42609658

IUPAC5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCC(C2CCNCC2)N1
InChIInChI=1S/C9H16N2O.ClH/c12-9-2-1-8(11-9)7-3-5-10-6-4-7;/h7-8,10H,1-6H2,(H,11,12);1H
InChIKeyXGZBSQWRYHZRNM-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.69
Rot. Bonds1

About 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride

5-piperidin-4-ylpyrrolidin-2-one;hydrochloride (PubChem CID 42609658) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
PubChem CID42609658
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCC(C2CCNCC2)N1
InChIInChI=1S/C9H16N2O.ClH/c12-9-2-1-8(11-9)7-3-5-10-6-4-7;/h7-8,10H,1-6H2,(H,11,12);1H
InChIKeyXGZBSQWRYHZRNM-UHFFFAOYSA-N
XLogP0.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride (CID 42609658) is 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride is Cl.O=C1CCC(C2CCNCC2)N1.
What is the InChIKey of 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
The InChIKey is XGZBSQWRYHZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c12-9-2-1-8(11-9)7-3-5-10-6-4-7;/h7-8,10H,1-6H2,(H,11,12);1H.
What are the key properties of 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 42609658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).