5-methylpiperidine-3,4-diol

C6H13NO2 — CID 10011928

IUPAC5-methylpiperidine-3,4-diol
SMILESCC1CNCC(O)C1O
InChIInChI=1S/C6H13NO2/c1-4-2-7-3-5(8)6(4)9/h4-9H,2-3H2,1H3
InChIKeyWPRCMXASRHJGNG-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.05
Rot. Bonds

About 5-methylpiperidine-3,4-diol

5-methylpiperidine-3,4-diol (PubChem CID 10011928) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 5-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name5-methylpiperidine-3,4-diol
PubChem CID10011928
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name5-methylpiperidine-3,4-diol
SMILESCC1CNCC(O)C1O
InChIInChI=1S/C6H13NO2/c1-4-2-7-3-5(8)6(4)9/h4-9H,2-3H2,1H3
InChIKeyWPRCMXASRHJGNG-UHFFFAOYSA-N
XLogP-1.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Afegostat
CID 447607
5-(Hydroxymethyl)piperidine-3,4-diol
CID 4452693
(3R,4s,5S)-piperidine-3,4,5-triol
CID 445612
(2R/S,3S,4R,5R)-5-(Hydroxymethyl)piperidine-2,3,4-triol
CID 10197840
D-Galacto-Isofagomine
CID 10240946
(2r,3s,4r,5r)-5-(Hydroxymethyl)piperidine-2,3,4-Triol
CID 11987879
5-epi-Isofagomine
CID 10820691
(3S,4S,5S)-5-(Hydroxymethyl)piperidine-3,4-diol
CID 44578588
(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol
CID 51050004
6-Deoxyfagomine
CID 57449463
(2R,3S)-2-Amino-5-methyl-piperidine-3,4-diol
CID 44319868
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-methylpiperidine-3,4-diol
CID 101735280

Frequently Asked Questions

What is the IUPAC name of 5-methylpiperidine-3,4-diol?
The IUPAC name of 5-methylpiperidine-3,4-diol (CID 10011928) is 5-methylpiperidine-3,4-diol.
What is the SMILES notation for 5-methylpiperidine-3,4-diol?
The canonical SMILES for 5-methylpiperidine-3,4-diol is CC1CNCC(O)C1O.
What is the InChIKey of 5-methylpiperidine-3,4-diol?
The InChIKey is WPRCMXASRHJGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-2-7-3-5(8)6(4)9/h4-9H,2-3H2,1H3.
What are the key properties of 5-methylpiperidine-3,4-diol?
5-methylpiperidine-3,4-diol has a molecular weight of 131.18 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpiperidine-3,4-diol is sourced from PubChem (CID 10011928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).