1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one

C11H21NO4 — CID 118588542

IUPAC1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C11H21NO4/c1-2-3-4-10(15)12-5-8(7-13)11(16)9(14)6-12/h8-9,11,13-14,16H,2-7H2,1H3/t8-,9-,11-/m1/s1
InChIKeyGWCVPBHYGVRQHZ-FXPVBKGRSA-N
MW231.29 g/mol
LogP-0.65
Rot. Bonds4

About 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one

1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one (PubChem CID 118588542) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one
PubChem CID118588542
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C11H21NO4/c1-2-3-4-10(15)12-5-8(7-13)11(16)9(14)6-12/h8-9,11,13-14,16H,2-7H2,1H3/t8-,9-,11-/m1/s1
InChIKeyGWCVPBHYGVRQHZ-FXPVBKGRSA-N
XLogP-0.65
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one with MolForge

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Related Compounds

1-((3S,4R,5R)-3-(Difluoromethyl)-4,5-dihydroxypiperidine-1-yl)pentane-1-one
CID 51356754
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 75631485
1-[(4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 134386658
1-[(3S,4R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 153672797
tert-butyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 130760510
1-(3-Hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 17918017
4-Acetoxy-5-acetoxymethyl-1-acetyl-3-piperidinol
CID 18797093
1-Acetyl-5-hydroxymethyl-3,4-piperidinediol
CID 18797117
(2S)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 51357586
(2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 51357587
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54519789
3,6-Dihydroxy-5-methyl-1-(2-methylpropyl)piperidin-2-one
CID 68213841

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one (CID 118588542) is 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1C[C@H](CO)[C@@H](O)[C@H](O)C1.
What is the InChIKey of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is GWCVPBHYGVRQHZ-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-3-4-10(15)12-5-8(7-13)11(16)9(14)6-12/h8-9,11,13-14,16H,2-7H2,1H3/t8-,9-,11-/m1/s1.
What are the key properties of 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one?
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 231.29 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 118588542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).