1-[(E)-2-(4-bromophenyl)ethenyl]piperidine

C13H16BrN — CID 146169747

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
SMILESBrc1ccc(/C=C/N2CCCCC2)cc1
InChIInChI=1S/C13H16BrN/c14-13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h4-8,11H,1-3,9-10H2/b11-8+
InChIKeySEPVXLUCRFIDGR-DHZHZOJOSA-N
MW266.18 g/mol
LogP3.91
Rot. Bonds2

About 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine

1-[(E)-2-(4-bromophenyl)ethenyl]piperidine (PubChem CID 146169747) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
PubChem CID146169747
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
SMILESBrc1ccc(/C=C/N2CCCCC2)cc1
InChIInChI=1S/C13H16BrN/c14-13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h4-8,11H,1-3,9-10H2/b11-8+
InChIKeySEPVXLUCRFIDGR-DHZHZOJOSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine (CID 146169747) is 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine is Brc1ccc(/C=C/N2CCCCC2)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine?
The InChIKey is SEPVXLUCRFIDGR-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H16BrN/c14-13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h4-8,11H,1-3,9-10H2/b11-8+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine?
1-[(E)-2-(4-bromophenyl)ethenyl]piperidine has a molecular weight of 266.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)ethenyl]piperidine is sourced from PubChem (CID 146169747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).