1-methylpiperidine-2,3-diol

C6H13NO2 — CID 67912699

IUPAC1-methylpiperidine-2,3-diol
SMILESCN1CCCC(O)C1O
InChIInChI=1S/C6H13NO2/c1-7-4-2-3-5(8)6(7)9/h5-6,8-9H,2-4H2,1H3
InChIKeyYUQXUJJXTHERGE-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.61
Rot. Bonds

About 1-methylpiperidine-2,3-diol

1-methylpiperidine-2,3-diol (PubChem CID 67912699) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-methylpiperidine-2,3-diol.

Molecular Properties

Compound Name1-methylpiperidine-2,3-diol
PubChem CID67912699
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-methylpiperidine-2,3-diol
SMILESCN1CCCC(O)C1O
InChIInChI=1S/C6H13NO2/c1-7-4-2-3-5(8)6(7)9/h5-6,8-9H,2-4H2,1H3
InChIKeyYUQXUJJXTHERGE-UHFFFAOYSA-N
XLogP-0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-2,3-diol?
The IUPAC name of 1-methylpiperidine-2,3-diol (CID 67912699) is 1-methylpiperidine-2,3-diol.
What is the SMILES notation for 1-methylpiperidine-2,3-diol?
The canonical SMILES for 1-methylpiperidine-2,3-diol is CN1CCCC(O)C1O.
What is the InChIKey of 1-methylpiperidine-2,3-diol?
The InChIKey is YUQXUJJXTHERGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-4-2-3-5(8)6(7)9/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 1-methylpiperidine-2,3-diol?
1-methylpiperidine-2,3-diol has a molecular weight of 131.18 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-2,3-diol is sourced from PubChem (CID 67912699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).