1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one

C15H28N2O2 — CID 115275458

IUPAC1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CC(O)CC2(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2)10-13(18)11-17(15)14(19)5-4-12-6-8-16(3)9-7-12/h12-13,18H,4-11H2,1-3H3
InChIKeyJDTGDWAUEULOTE-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one

1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one (PubChem CID 115275458) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
PubChem CID115275458
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CC(O)CC2(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2)10-13(18)11-17(15)14(19)5-4-12-6-8-16(3)9-7-12/h12-13,18H,4-11H2,1-3H3
InChIKeyJDTGDWAUEULOTE-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 115273158
1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
CID 115276179
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
CID 115275751
S-methyl 3-(1-methylpiperidin-4-yl)propanethioate
CID 147245014
3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 115275816
5,5-dimethyl-1-[4-(1-methylpyrrolidin-3-yl)butanoyl]pyrrolidin-3-one
CID 115275617
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276015
1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one
CID 167474650
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
CID 110837588
2-cyclohexyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276010
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one (CID 115275458) is 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one is CN1CCC(CCC(=O)N2CC(O)CC2(C)C)CC1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The InChIKey is JDTGDWAUEULOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2)10-13(18)11-17(15)14(19)5-4-12-6-8-16(3)9-7-12/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 115275458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).