(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone

C13H24N2O2 — CID 81116250

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone
SMILESCC1CNCC(C(=O)N2CCC(C)(O)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-7-11(9-14-8-10)12(16)15-5-3-13(2,17)4-6-15/h10-11,14,17H,3-9H2,1-2H3
InChIKeyZACZTKLMROZWLT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone (PubChem CID 81116250) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone
PubChem CID81116250
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone
SMILESCC1CNCC(C(=O)N2CCC(C)(O)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-7-11(9-14-8-10)12(16)15-5-3-13(2,17)4-6-15/h10-11,14,17H,3-9H2,1-2H3
InChIKeyZACZTKLMROZWLT-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylpiperidin-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372244
azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
azetidin-3-yl-(3-methylazetidin-1-yl)methanone
CID 164653902
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
CID 178194792
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
1-(5-methylpiperidine-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196161
[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone
CID 116634917
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 81115944

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone (CID 81116250) is (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone is CC1CNCC(C(=O)N2CCC(C)(O)CC2)C1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone?
The InChIKey is ZACZTKLMROZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-7-11(9-14-8-10)12(16)15-5-3-13(2,17)4-6-15/h10-11,14,17H,3-9H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 81116250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).