4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one

C10H18N2O2 — CID 168662980

IUPAC4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
SMILESO=C1CC(CO)CN1C1CCNCC1
InChIInChI=1S/C10H18N2O2/c13-7-8-5-10(14)12(6-8)9-1-3-11-4-2-9/h8-9,11,13H,1-7H2
InChIKeyCNAWCQNKZZPUAH-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.42
Rot. Bonds2

About 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one

4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one (PubChem CID 168662980) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
PubChem CID168662980
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
SMILESO=C1CC(CO)CN1C1CCNCC1
InChIInChI=1S/C10H18N2O2/c13-7-8-5-10(14)12(6-8)9-1-3-11-4-2-9/h8-9,11,13H,1-7H2
InChIKeyCNAWCQNKZZPUAH-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168661983
4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 117005596
ethyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 168662115
tert-butyl (1R,5S)-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168661507
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
CID 168718088
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661550
4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
CID 117005880
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
CID 168661774
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
CID 117005709

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one (CID 168662980) is 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one is O=C1CC(CO)CN1C1CCNCC1.
What is the InChIKey of 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one?
The InChIKey is CNAWCQNKZZPUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-7-8-5-10(14)12(6-8)9-1-3-11-4-2-9/h8-9,11,13H,1-7H2.
What are the key properties of 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one?
4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 168662980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).