(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one

C9H17NO3 — CID 58959887

IUPAC(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@H](O)CO)CC1
InChIInChI=1S/C9H17NO3/c1-7-2-4-10(5-3-7)9(13)8(12)6-11/h7-8,11-12H,2-6H2,1H3/t8-/m1/s1
InChIKeyUUMNRPKZDDBETC-MRVPVSSYSA-N
MW187.24 g/mol
LogP-0.40
Rot. Bonds2

About (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one

(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 58959887) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID58959887
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@H](O)CO)CC1
InChIInChI=1S/C9H17NO3/c1-7-2-4-10(5-3-7)9(13)8(12)6-11/h7-8,11-12H,2-6H2,1H3/t8-/m1/s1
InChIKeyUUMNRPKZDDBETC-MRVPVSSYSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 130148123
2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 126991157
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 111463889
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
(2S)-2-chloro-1-(4-methylpiperidin-1-yl)butan-1-one
CID 129497057
3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 170768798
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one (CID 58959887) is (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)[C@H](O)CO)CC1.
What is the InChIKey of (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is UUMNRPKZDDBETC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-2-4-10(5-3-7)9(13)8(12)6-11/h7-8,11-12H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 187.24 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 58959887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).