1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone

C13H20N2O2 — CID 115276218

IUPAC1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCC1(C)CCC(O)CN1C(=O)Cc1cc[nH]c1
InChIInChI=1S/C13H20N2O2/c1-13(2)5-3-11(16)9-15(13)12(17)7-10-4-6-14-8-10/h4,6,8,11,14,16H,3,5,7,9H2,1-2H3
InChIKeyNIYOXFHGWPTFBA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds2

About 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone

1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (PubChem CID 115276218) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
PubChem CID115276218
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
SMILESCC1(C)CCC(O)CN1C(=O)Cc1cc[nH]c1
InChIInChI=1S/C13H20N2O2/c1-13(2)5-3-11(16)9-15(13)12(17)7-10-4-6-14-8-10/h4,6,8,11,14,16H,3,5,7,9H2,1-2H3
InChIKeyNIYOXFHGWPTFBA-UHFFFAOYSA-N
XLogP1.32
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115275046
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115276231
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115276022
1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769091
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904
(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276194
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115275807
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 115276226

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone (CID 115276218) is 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is CC1(C)CCC(O)CN1C(=O)Cc1cc[nH]c1.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
The InChIKey is NIYOXFHGWPTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2)5-3-11(16)9-15(13)12(17)7-10-4-6-14-8-10/h4,6,8,11,14,16H,3,5,7,9H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone?
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 115276218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).