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

C11H20ClNO — CID 121209328

IUPAC4-(oxan-4-ylmethylidene)piperidine;hydrochloride
SMILESC(=C1CCNCC1)C1CCOCC1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11;/h9,11-12H,1-8H2;1H
InChIKeyQPQKYPXFKRKJEO-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.14
Rot. Bonds1

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

4-(oxan-4-ylmethylidene)piperidine;hydrochloride (PubChem CID 121209328) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylidene)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(oxan-4-ylmethylidene)piperidine;hydrochloride
PubChem CID121209328
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-(oxan-4-ylmethylidene)piperidine;hydrochloride
SMILESC(=C1CCNCC1)C1CCOCC1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11;/h9,11-12H,1-8H2;1H
InChIKeyQPQKYPXFKRKJEO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
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-(oxan-4-ylmethylidene)piperidine;hydrochloride?
The IUPAC name of 4-(oxan-4-ylmethylidene)piperidine;hydrochloride (CID 121209328) is 4-(oxan-4-ylmethylidene)piperidine;hydrochloride.
What is the SMILES notation for 4-(oxan-4-ylmethylidene)piperidine;hydrochloride?
The canonical SMILES for 4-(oxan-4-ylmethylidene)piperidine;hydrochloride is C(=C1CCNCC1)C1CCOCC1.Cl.
What is the InChIKey of 4-(oxan-4-ylmethylidene)piperidine;hydrochloride?
The InChIKey is QPQKYPXFKRKJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11;/h9,11-12H,1-8H2;1H.
What are the key properties of 4-(oxan-4-ylmethylidene)piperidine;hydrochloride?
4-(oxan-4-ylmethylidene)piperidine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylidene)piperidine;hydrochloride is sourced from PubChem (CID 121209328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).