1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one

C15H24N2O2 — CID 115276035

IUPAC1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
SMILESCC1(C)CC(O)CCN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C15H24N2O2/c1-15(2)11-13(18)8-10-17(15)14(19)7-3-5-12-6-4-9-16-12/h4,6,9,13,16,18H,3,5,7-8,10-11H2,1-2H3
InChIKeyYMCJVMHTBFRSLB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one

1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one (PubChem CID 115276035) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
PubChem CID115276035
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
SMILESCC1(C)CC(O)CCN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C15H24N2O2/c1-15(2)11-13(18)8-10-17(15)14(19)7-3-5-12-6-4-9-16-12/h4,6,9,13,16,18H,3,5,7-8,10-11H2,1-2H3
InChIKeyYMCJVMHTBFRSLB-UHFFFAOYSA-N
XLogP2.10
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115276022
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
1-(3-hydroxypiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115277012
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
CID 115276032
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115273150
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276015
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-(2-bromophenyl)butan-1-one
CID 115275754
1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115277163

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one (CID 115276035) is 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one is CC1(C)CC(O)CCN1C(=O)CCCc1ccc[nH]1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one?
The InChIKey is YMCJVMHTBFRSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)11-13(18)8-10-17(15)14(19)7-3-5-12-6-4-9-16-12/h4,6,9,13,16,18H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one?
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one is sourced from PubChem (CID 115276035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).