3-methylidenepiperidin-4-ol

C6H11NO — CID 142181331

IUPAC3-methylidenepiperidin-4-ol
SMILESC=C1CNCCC1O
InChIInChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h6-8H,1-4H2
InChIKeyQJWUERDITRHVET-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.10
Rot. Bonds

About 3-methylidenepiperidin-4-ol

3-methylidenepiperidin-4-ol (PubChem CID 142181331) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methylidenepiperidin-4-ol.

Molecular Properties

Compound Name3-methylidenepiperidin-4-ol
PubChem CID142181331
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methylidenepiperidin-4-ol
SMILESC=C1CNCCC1O
InChIInChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h6-8H,1-4H2
InChIKeyQJWUERDITRHVET-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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Related Compounds

5-Methylene-piperidine-3,4-diol
CID 44367875
(4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol
CID 162544178
(Z)-piperidin-3-ylidenemethanol
CID 20517397
5-Methylidenepiperidin-3-ol
CID 53700633
Piperidin-3-ylidenemethanol
CID 67608436
(3S)-4-methylidenepiperidin-3-ol
CID 67957994
4-Methylidenepiperidin-3-ol
CID 70262257
(4S)-3-methylidenepiperidin-4-ol
CID 89107509
3-Methylidenepiperidin-2-ol
CID 123193776
Methane;4-methylidenepiperidin-3-ol
CID 143089265
2-Methyl-5-(3-methylidenehexylamino)pent-1-en-3-ol
CID 155017470

Frequently Asked Questions

What is the IUPAC name of 3-methylidenepiperidin-4-ol?
The IUPAC name of 3-methylidenepiperidin-4-ol (CID 142181331) is 3-methylidenepiperidin-4-ol.
What is the SMILES notation for 3-methylidenepiperidin-4-ol?
The canonical SMILES for 3-methylidenepiperidin-4-ol is C=C1CNCCC1O.
What is the InChIKey of 3-methylidenepiperidin-4-ol?
The InChIKey is QJWUERDITRHVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h6-8H,1-4H2.
What are the key properties of 3-methylidenepiperidin-4-ol?
3-methylidenepiperidin-4-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 3-methylidenepiperidin-4-ol is sourced from PubChem (CID 142181331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).