4-(oxan-2-ylmethylidene)piperidine;hydrochloride

C11H20ClNO — CID 126844590

IUPAC4-(oxan-2-ylmethylidene)piperidine;hydrochloride
SMILESC(=C1CCNCC1)C1CCCCO1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-2-8-13-11(3-1)9-10-4-6-12-7-5-10;/h9,11-12H,1-8H2;1H
InChIKeyKUHKZNHBUASIQO-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.29
Rot. Bonds1

About 4-(oxan-2-ylmethylidene)piperidine;hydrochloride

4-(oxan-2-ylmethylidene)piperidine;hydrochloride (PubChem CID 126844590) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-(oxan-2-ylmethylidene)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(oxan-2-ylmethylidene)piperidine;hydrochloride
PubChem CID126844590
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-(oxan-2-ylmethylidene)piperidine;hydrochloride
SMILESC(=C1CCNCC1)C1CCCCO1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-2-8-13-11(3-1)9-10-4-6-12-7-5-10;/h9,11-12H,1-8H2;1H
InChIKeyKUHKZNHBUASIQO-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(oxan-2-ylmethylidene)-8-azabicyclo[3.2.1]octane
CID 126844595
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589
(2R)-oxane-2-carbaldehyde
CID 12648700
CID 101368257
CID 101368257
(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane
CID 102902833
(4Z)-4-(oxolan-3-ylmethylidene)azepane
CID 126844946
2-buta-1,3-dienyloxane
CID 150390930
2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride
CID 126845598
2-but-1-enyloxane
CID 54120972
2-piperidin-2-yl-1,3-oxazinane;hydrochloride
CID 117225945
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
2-[(Z)-pent-1-enyl]oxolane
CID 11083976

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethylidene)piperidine;hydrochloride?
The IUPAC name of 4-(oxan-2-ylmethylidene)piperidine;hydrochloride (CID 126844590) is 4-(oxan-2-ylmethylidene)piperidine;hydrochloride.
What is the SMILES notation for 4-(oxan-2-ylmethylidene)piperidine;hydrochloride?
The canonical SMILES for 4-(oxan-2-ylmethylidene)piperidine;hydrochloride is C(=C1CCNCC1)C1CCCCO1.Cl.
What is the InChIKey of 4-(oxan-2-ylmethylidene)piperidine;hydrochloride?
The InChIKey is KUHKZNHBUASIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c1-2-8-13-11(3-1)9-10-4-6-12-7-5-10;/h9,11-12H,1-8H2;1H.
What are the key properties of 4-(oxan-2-ylmethylidene)piperidine;hydrochloride?
4-(oxan-2-ylmethylidene)piperidine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethylidene)piperidine;hydrochloride is sourced from PubChem (CID 126844590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).