2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone

C13H24N2O2 — CID 175786218

IUPAC2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone
SMILESCN1CCC(O)(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-9-5-13(17,6-10-14)11-12(16)15-7-3-2-4-8-15/h17H,2-11H2,1H3
InChIKeyDYOOBOVLNJNQOM-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.85
Rot. Bonds2

About 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone

2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone (PubChem CID 175786218) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone
PubChem CID175786218
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone
SMILESCN1CCC(O)(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-9-5-13(17,6-10-14)11-12(16)15-7-3-2-4-8-15/h17H,2-11H2,1H3
InChIKeyDYOOBOVLNJNQOM-UHFFFAOYSA-N
XLogP0.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-hydroxy-1-methylpiperidin-4-yl)acetyl]azanide;vanadium
CID 176949027
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-hydroxycyclobutyl)-1-piperazin-1-ylethanone
CID 82505839
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
4-(aminooxymethyl)-1-methylpiperidin-4-ol
CID 105431438
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538197
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 107163702

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone (CID 175786218) is 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone is CN1CCC(O)(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone?
The InChIKey is DYOOBOVLNJNQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-9-5-13(17,6-10-14)11-12(16)15-7-3-2-4-8-15/h17H,2-11H2,1H3.
What are the key properties of 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone?
2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 175786218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).