1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine

C15H20BrN — CID 6445379

IUPAC1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine
SMILESBrc1ccccc1C/C=C/CN1CCCCC1
InChIInChI=1S/C15H20BrN/c16-15-10-3-2-8-14(15)9-4-7-13-17-11-5-1-6-12-17/h2-4,7-8,10H,1,5-6,9,11-13H2/b7-4+
InChIKeyRIXDLLLTIVUYNB-QPJJXVBHSA-N
MW294.24 g/mol
LogP4.03
Rot. Bonds4

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

1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine (PubChem CID 6445379) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine
PubChem CID6445379
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine
SMILESBrc1ccccc1C/C=C/CN1CCCCC1
InChIInChI=1S/C15H20BrN/c16-15-10-3-2-8-14(15)9-4-7-13-17-11-5-1-6-12-17/h2-4,7-8,10H,1,5-6,9,11-13H2/b7-4+
InChIKeyRIXDLLLTIVUYNB-QPJJXVBHSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bretylium
CID 2431
N,N-dimethyl-2-bromophenylethylamine
CID 151465
(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
CID 10356389
1-(3-Phenylpropyl)piperidine
CID 11171707
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
1-[(2-Bromophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 1529368
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
4-[(E)-2-(4-bromophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 134385635
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 18499

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine?
The IUPAC name of 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine (CID 6445379) is 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine is Brc1ccccc1C/C=C/CN1CCCCC1.
What is the InChIKey of 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine?
The InChIKey is RIXDLLLTIVUYNB-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H20BrN/c16-15-10-3-2-8-14(15)9-4-7-13-17-11-5-1-6-12-17/h2-4,7-8,10H,1,5-6,9,11-13H2/b7-4+.
What are the key properties of 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine?
1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine has a molecular weight of 294.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine is sourced from PubChem (CID 6445379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).