2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one

C12H24N2O2 — CID 102957127

IUPAC2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)6-10(13)12(16)14-5-4-9(3)11(15)7-14/h8-11,15H,4-7,13H2,1-3H3
InChIKeyGBSFIVLPKRYPDV-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds3

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

2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one (PubChem CID 102957127) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
PubChem CID102957127
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)6-10(13)12(16)14-5-4-9(3)11(15)7-14/h8-11,15H,4-7,13H2,1-3H3
InChIKeyGBSFIVLPKRYPDV-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 102957109
(2S)-2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 102957113
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one
CID 102957240
1-[(2S)-2-amino-4-methylpentanoyl]piperidine-3,4-dicarboxylic acid
CID 103931165
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
(2S)-2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 118427491
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
CID 113402254
(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 124681873

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one (CID 102957127) is 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one is CC(C)CC(N)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one?
The InChIKey is GBSFIVLPKRYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)6-10(13)12(16)14-5-4-9(3)11(15)7-14/h8-11,15H,4-7,13H2,1-3H3.
What are the key properties of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one?
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 102957127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).