1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone

C20H30N2O2 — CID 136544103

IUPAC1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1(C)C(O)CCN1CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O2/c1-20(2)18(23)10-13-22(20)15-19(24)21-11-8-17(9-12-21)14-16-6-4-3-5-7-16/h3-7,17-18,23H,8-15H2,1-2H3
InChIKeyMLJLWYOGLNASOF-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.31
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 136544103) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
PubChem CID136544103
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1(C)C(O)CCN1CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O2/c1-20(2)18(23)10-13-22(20)15-19(24)21-11-8-17(9-12-21)14-16-6-4-3-5-7-16/h3-7,17-18,23H,8-15H2,1-2H3
InChIKeyMLJLWYOGLNASOF-UHFFFAOYSA-N
XLogP2.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
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CID 127122886
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone
CID 3264280
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
1-(4-benzylpiperidin-1-yl)-2-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 23965134
1-(4-benzylpiperidin-1-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 32977619
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone (CID 136544103) is 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone is CC1(C)C(O)CCN1CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is MLJLWYOGLNASOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2)18(23)10-13-22(20)15-19(24)21-11-8-17(9-12-21)14-16-6-4-3-5-7-16/h3-7,17-18,23H,8-15H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 330.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 136544103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).