4-methylidenepiperidin-3-ol

C6H11NO — CID 70262257

IUPAC4-methylidenepiperidin-3-ol
SMILESC=C1CCNCC1O
InChIInChI=1S/C6H11NO/c1-5-2-3-7-4-6(5)8/h6-8H,1-4H2
InChIKeySWMPNEOZXWDLQK-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.10
Rot. Bonds

About 4-methylidenepiperidin-3-ol

4-methylidenepiperidin-3-ol (PubChem CID 70262257) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-methylidenepiperidin-3-ol.

Molecular Properties

Compound Name4-methylidenepiperidin-3-ol
PubChem CID70262257
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-methylidenepiperidin-3-ol
SMILESC=C1CCNCC1O
InChIInChI=1S/C6H11NO/c1-5-2-3-7-4-6(5)8/h6-8H,1-4H2
InChIKeySWMPNEOZXWDLQK-UHFFFAOYSA-N
XLogP-0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.10
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 4-methylidenepiperidin-3-ol?
The IUPAC name of 4-methylidenepiperidin-3-ol (CID 70262257) is 4-methylidenepiperidin-3-ol.
What is the SMILES notation for 4-methylidenepiperidin-3-ol?
The canonical SMILES for 4-methylidenepiperidin-3-ol is C=C1CCNCC1O.
What is the InChIKey of 4-methylidenepiperidin-3-ol?
The InChIKey is SWMPNEOZXWDLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-3-7-4-6(5)8/h6-8H,1-4H2.
What are the key properties of 4-methylidenepiperidin-3-ol?
4-methylidenepiperidin-3-ol has a molecular weight of 113.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepiperidin-3-ol is sourced from PubChem (CID 70262257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).