1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one

C10H18N2O2 — CID 12996911

IUPAC1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCCC(O)C1
InChIInChI=1S/C10H18N2O2/c13-9-3-1-5-11(7-9)8-12-6-2-4-10(12)14/h9,13H,1-8H2
InChIKeyAGYGVKHZTBLUIF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.02
Rot. Bonds2

About 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one

1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 12996911) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID12996911
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCCC(O)C1
InChIInChI=1S/C10H18N2O2/c13-9-3-1-5-11(7-9)8-12-6-2-4-10(12)14/h9,13H,1-8H2
InChIKeyAGYGVKHZTBLUIF-UHFFFAOYSA-N
XLogP0.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 79030579
1-(chloromethyl)piperidin-3-ol
CID 53403087
2-(3-hydroxypiperidin-1-yl)acetaldehyde
CID 62035044
1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one
CID 6933438
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 60689789
6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 75129196
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
1-(2-piperidin-4-ylethyl)piperidin-3-ol
CID 83821198
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
N-[2-(3-hydroxypiperidin-1-yl)ethyl]formamide
CID 88885612
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one (CID 12996911) is 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one is O=C1CCCN1CN1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is AGYGVKHZTBLUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9-3-1-5-11(7-9)8-12-6-2-4-10(12)14/h9,13H,1-8H2.
What are the key properties of 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one?
1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 12996911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).