4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one

C11H21NO2 — CID 59926372

IUPAC4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one
SMILESCC(=O)C(C(C)O)C1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-8(13)11(9(2)14)10-4-6-12(3)7-5-10/h8,10-11,13H,4-7H2,1-3H3
InChIKeyGGYYHVBRVFBTBH-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.91
Rot. Bonds3

About 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one

4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one (PubChem CID 59926372) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one
PubChem CID59926372
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one
SMILESCC(=O)C(C(C)O)C1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-8(13)11(9(2)14)10-4-6-12(3)7-5-10/h8,10-11,13H,4-7H2,1-3H3
InChIKeyGGYYHVBRVFBTBH-UHFFFAOYSA-N
XLogP0.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpiperidin-4-yl)methanediol
CID 21366498
1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 116859527
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
1-hydroxy-3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one
CID 116835959
N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine
CID 123200963
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112
1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
CID 12535231

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one?
The IUPAC name of 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one (CID 59926372) is 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one.
What is the SMILES notation for 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one?
The canonical SMILES for 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one is CC(=O)C(C(C)O)C1CCN(C)CC1.
What is the InChIKey of 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one?
The InChIKey is GGYYHVBRVFBTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(13)11(9(2)14)10-4-6-12(3)7-5-10/h8,10-11,13H,4-7H2,1-3H3.
What are the key properties of 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one?
4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one has a molecular weight of 199.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one is sourced from PubChem (CID 59926372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).