3-methyl-5-methylidenepiperidin-2-ol

C7H13NO — CID 91350015

IUPAC3-methyl-5-methylidenepiperidin-2-ol
SMILESC=C1CNC(O)C(C)C1
InChIInChI=1S/C7H13NO/c1-5-3-6(2)7(9)8-4-5/h6-9H,1,3-4H2,2H3
InChIKeySBDBDFXTFPAPKJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.49
Rot. Bonds

About 3-methyl-5-methylidenepiperidin-2-ol

3-methyl-5-methylidenepiperidin-2-ol (PubChem CID 91350015) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methyl-5-methylidenepiperidin-2-ol.

Molecular Properties

Compound Name3-methyl-5-methylidenepiperidin-2-ol
PubChem CID91350015
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methyl-5-methylidenepiperidin-2-ol
SMILESC=C1CNC(O)C(C)C1
InChIInChI=1S/C7H13NO/c1-5-3-6(2)7(9)8-4-5/h6-9H,1,3-4H2,2H3
InChIKeySBDBDFXTFPAPKJ-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidenepiperidin-2-ol?
The IUPAC name of 3-methyl-5-methylidenepiperidin-2-ol (CID 91350015) is 3-methyl-5-methylidenepiperidin-2-ol.
What is the SMILES notation for 3-methyl-5-methylidenepiperidin-2-ol?
The canonical SMILES for 3-methyl-5-methylidenepiperidin-2-ol is C=C1CNC(O)C(C)C1.
What is the InChIKey of 3-methyl-5-methylidenepiperidin-2-ol?
The InChIKey is SBDBDFXTFPAPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-6(2)7(9)8-4-5/h6-9H,1,3-4H2,2H3.
What are the key properties of 3-methyl-5-methylidenepiperidin-2-ol?
3-methyl-5-methylidenepiperidin-2-ol has a molecular weight of 127.19 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidenepiperidin-2-ol is sourced from PubChem (CID 91350015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).