(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone

C13H24N2O2 — CID 104597039

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(O)CCN(C(=O)C2(C)CCCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(17)6-9-15(10-7-12)11(16)13(2)5-3-4-8-14-13/h14,17H,3-10H2,1-2H3
InChIKeyFWUSRFDOLUEHAX-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.89
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone (PubChem CID 104597039) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
PubChem CID104597039
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(O)CCN(C(=O)C2(C)CCCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(17)6-9-15(10-7-12)11(16)13(2)5-3-4-8-14-13/h14,17H,3-10H2,1-2H3
InChIKeyFWUSRFDOLUEHAX-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536777
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104596814
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 113430865
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596862
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596766
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride
CID 110027361
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone
CID 113430850
(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane
CID 144942230

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone (CID 104597039) is (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone is CC1(O)CCN(C(=O)C2(C)CCCCN2)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
The InChIKey is FWUSRFDOLUEHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(17)6-9-15(10-7-12)11(16)13(2)5-3-4-8-14-13/h14,17H,3-10H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.89, 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)-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 104597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).