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

C9H17ClN2O — CID 23018840

IUPAC1-piperidin-4-ylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O.ClH/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;/h8,10H,1-7H2;1H
InChIKeyPNPJJNPAAUMVJK-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.78
Rot. Bonds1

About 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride

1-piperidin-4-ylpyrrolidin-2-one;hydrochloride (PubChem CID 23018840) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-ylpyrrolidin-2-one;hydrochloride
PubChem CID23018840
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name1-piperidin-4-ylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O.ClH/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;/h8,10H,1-7H2;1H
InChIKeyPNPJJNPAAUMVJK-UHFFFAOYSA-N
XLogP0.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride (CID 23018840) is 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
The InChIKey is PNPJJNPAAUMVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;/h8,10H,1-7H2;1H.
What are the key properties of 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride?
1-piperidin-4-ylpyrrolidin-2-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 23018840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).