1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride

C9H17ClN2O2 — CID 68754203

IUPAC1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1C1(O)CCNCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-8-2-1-7-11(8)9(13)3-5-10-6-4-9;/h10,13H,1-7H2;1H
InChIKeyMGDWTKDSXRVYCF-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.10
Rot. Bonds1

About 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride

1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride (PubChem CID 68754203) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride
PubChem CID68754203
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1C1(O)CCNCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-8-2-1-7-11(8)9(13)3-5-10-6-4-9;/h10,13H,1-7H2;1H
InChIKeyMGDWTKDSXRVYCF-UHFFFAOYSA-N
XLogP0.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride (CID 68754203) is 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1C1(O)CCNCC1.
What is the InChIKey of 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride?
The InChIKey is MGDWTKDSXRVYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c12-8-2-1-7-11(8)9(13)3-5-10-6-4-9;/h10,13H,1-7H2;1H.
What are the key properties of 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride?
1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 68754203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).