1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine

C11H16BrN — CID 173233336

IUPAC1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine
SMILESBrC1=CC(N2CCCCC2)=CCC1
InChIInChI=1S/C11H16BrN/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h6,9H,1-5,7-8H2
InChIKeyMCYFIARLFHZGAN-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.43
Rot. Bonds1

About 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine

1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 173233336) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine
PubChem CID173233336
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine
SMILESBrC1=CC(N2CCCCC2)=CCC1
InChIInChI=1S/C11H16BrN/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h6,9H,1-5,7-8H2
InChIKeyMCYFIARLFHZGAN-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine (CID 173233336) is 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine is BrC1=CC(N2CCCCC2)=CCC1.
What is the InChIKey of 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is MCYFIARLFHZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h6,9H,1-5,7-8H2.
What are the key properties of 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine?
1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 242.16 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 173233336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).