(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one

C12H24N2O2 — CID 59979604

IUPAC(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one
SMILESCN[C@H](C(=O)N1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(13-4)11(16)14-7-5-9(15)6-8-14/h9-10,13,15H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyBMUFRLOKUXSBIX-SNVBAGLBSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds2

About (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one

(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one (PubChem CID 59979604) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one
PubChem CID59979604
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one
SMILESCN[C@H](C(=O)N1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(13-4)11(16)14-7-5-9(15)6-8-14/h9-10,13,15H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyBMUFRLOKUXSBIX-SNVBAGLBSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-(2,2-dimethylpropyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745892
1-(4-Hydroxypiperidin-1-yl)-2-(methylamino)ethan-1-one hydrochloride
CID 45791923
2-Amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one hydrochloride
CID 47003200
N1-cyclopropyl-N2-(3-hydroxy-4,4-dimethylpentyl)oxalamide
CID 71787623
N-[2-(dimethylamino)ethyl]-N'-(3-hydroxy-4,4-dimethylpentyl)ethanediamide
CID 71787636
2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide
CID 71844699
N-(4-hydroxy-2,2-dimethylpentyl)-3-methyl-2-piperidin-1-ylbutanamide
CID 71856702
1-(4-Hydroxypiperidin-1-yl)-2-(methylamino)ethan-1-one
CID 24691079
(1,3-Dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 133188424
2-Amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 24708951
2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 110877860
N-butyl-2-(3,3-difluoro-4-hydroxypiperidin-1-yl)propanamide
CID 127266764

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one?
The IUPAC name of (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one (CID 59979604) is (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one.
What is the SMILES notation for (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one?
The canonical SMILES for (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one is CN[C@H](C(=O)N1CCC(O)CC1)C(C)(C)C.
What is the InChIKey of (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one?
The InChIKey is BMUFRLOKUXSBIX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)10(13-4)11(16)14-7-5-9(15)6-8-14/h9-10,13,15H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one?
(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one is sourced from PubChem (CID 59979604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).