4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine

C16H20BrNO — CID 71271280

IUPAC4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine
SMILESBrc1ccc(C=C2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C16H20BrNO/c17-15-3-1-13(2-4-15)11-14-5-8-18(9-6-14)16-7-10-19-12-16/h1-4,11,16H,5-10,12H2
InChIKeyLSXWCNIQSXXXMQ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.72
Rot. Bonds2

About 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine

4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine (PubChem CID 71271280) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine
PubChem CID71271280
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine
SMILESBrc1ccc(C=C2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C16H20BrNO/c17-15-3-1-13(2-4-15)11-14-5-8-18(9-6-14)16-7-10-19-12-16/h1-4,11,16H,5-10,12H2
InChIKeyLSXWCNIQSXXXMQ-UHFFFAOYSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine?
The IUPAC name of 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine (CID 71271280) is 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine.
What is the SMILES notation for 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine?
The canonical SMILES for 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine is Brc1ccc(C=C2CCN(C3CCOC3)CC2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine?
The InChIKey is LSXWCNIQSXXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-15-3-1-13(2-4-15)11-14-5-8-18(9-6-14)16-7-10-19-12-16/h1-4,11,16H,5-10,12H2.
What are the key properties of 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine?
4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine has a molecular weight of 322.25 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine is sourced from PubChem (CID 71271280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).