3-methylpiperidine-3,4-diol

C6H13NO2 — CID 70672277

IUPAC3-methylpiperidine-3,4-diol
SMILESCC1(O)CNCCC1O
InChIInChI=1S/C6H13NO2/c1-6(9)4-7-3-2-5(6)8/h5,7-9H,2-4H2,1H3
InChIKeyHYKBZZUNSZBYCZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.91
Rot. Bonds

About 3-methylpiperidine-3,4-diol

3-methylpiperidine-3,4-diol (PubChem CID 70672277) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name3-methylpiperidine-3,4-diol
PubChem CID70672277
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-methylpiperidine-3,4-diol
SMILESCC1(O)CNCCC1O
InChIInChI=1S/C6H13NO2/c1-6(9)4-7-3-2-5(6)8/h5,7-9H,2-4H2,1H3
InChIKeyHYKBZZUNSZBYCZ-UHFFFAOYSA-N
XLogP-0.91
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 ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidine-3,4-diol?
The IUPAC name of 3-methylpiperidine-3,4-diol (CID 70672277) is 3-methylpiperidine-3,4-diol.
What is the SMILES notation for 3-methylpiperidine-3,4-diol?
The canonical SMILES for 3-methylpiperidine-3,4-diol is CC1(O)CNCCC1O.
What is the InChIKey of 3-methylpiperidine-3,4-diol?
The InChIKey is HYKBZZUNSZBYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(9)4-7-3-2-5(6)8/h5,7-9H,2-4H2,1H3.
What are the key properties of 3-methylpiperidine-3,4-diol?
3-methylpiperidine-3,4-diol has a molecular weight of 131.18 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-3,4-diol is sourced from PubChem (CID 70672277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).