1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

C15H28N2O2 — CID 115275797

IUPAC1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCCC(O)C2(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2)13(18)5-4-8-17(15)14(19)11-12-6-9-16(3)10-7-12/h12-13,18H,4-11H2,1-3H3
InChIKeyDCAVUMFJPOXFAI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds2

About 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 115275797) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID115275797
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCCC(O)C2(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2)13(18)5-4-8-17(15)14(19)11-12-6-9-16(3)10-7-12/h12-13,18H,4-11H2,1-3H3
InChIKeyDCAVUMFJPOXFAI-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2-cyclopentyl-1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
CID 115275051
3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 115275816
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 115270563
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-one
CID 115276298
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269211
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 168882694
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115275807
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one
CID 112533196
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (CID 115275797) is 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is CN1CCC(CC(=O)N2CCCC(O)C2(C)C)CC1.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is DCAVUMFJPOXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2)13(18)5-4-8-17(15)14(19)11-12-6-9-16(3)10-7-12/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 115275797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).