4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

C13H24N2O2 — CID 117005596

IUPAC4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(N2CC(CO)CC2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-5-3-12(4-6-14)15-8-11(9-16)7-13(15)17/h10-12,16H,3-9H2,1-2H3
InChIKeyFNWJBCFVGYRVQF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.70
Rot. Bonds3

About 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 117005596) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID117005596
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC(C)N1CCC(N2CC(CO)CC2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-5-3-12(4-6-14)15-8-11(9-16)7-13(15)17/h10-12,16H,3-9H2,1-2H3
InChIKeyFNWJBCFVGYRVQF-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)-1-Isopropylpyrrolidin-2-One
CID 21331355
1-(1,1-Dimethylethyl)-4-(hydroxymethyl)-2-pyrrolidinone
CID 20372067
1-Cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 24275516
1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 124049898
1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 124050082
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124078005
1-[(R)-2-{[4-(hydroxymethyl)-1-piperidyl]methyl}-1-pyrrolidinyl]-1-ethanone
CID 100665546
1-Butyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 20372069
4-(Hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 21331357
1-(4-Hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl)pyrrolidin-2-one
CID 23342862
4-(Hydroxymethyl)-1-pentylpyrrolidin-2-one
CID 24275540
(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one
CID 42259339

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (CID 117005596) is 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is CC(C)N1CCC(N2CC(CO)CC2=O)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is FNWJBCFVGYRVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)14-5-3-12(4-6-14)15-8-11(9-16)7-13(15)17/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 117005596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).