1-bromo-4-phenylpiperidine

C11H14BrN — CID 89020756

IUPAC1-bromo-4-phenylpiperidine
SMILESBrN1CCC(c2ccccc2)CC1
InChIInChI=1S/C11H14BrN/c12-13-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyPBBVWRCWKMMSIO-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.18
Rot. Bonds1

About 1-bromo-4-phenylpiperidine

1-bromo-4-phenylpiperidine (PubChem CID 89020756) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-bromo-4-phenylpiperidine.

Molecular Properties

Compound Name1-bromo-4-phenylpiperidine
PubChem CID89020756
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-bromo-4-phenylpiperidine
SMILESBrN1CCC(c2ccccc2)CC1
InChIInChI=1S/C11H14BrN/c12-13-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyPBBVWRCWKMMSIO-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-phenylpiperidine
CID 143940552
benzene;cyclopropylbenzene
CID 144638417
1-(4-phenylpiperidin-1-yl)azepane
CID 67304390
phenyl-(4-phenylpiperidin-1-yl)methanol
CID 57150184
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
cyclopentylbenzene;iron
CID 158512704
2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(3,4,5-13C3)azinan-1-yl]-1,1,2,2-tetradeuterio(113C)ethanamine
CID 89308417
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenylpiperidine?
The IUPAC name of 1-bromo-4-phenylpiperidine (CID 89020756) is 1-bromo-4-phenylpiperidine.
What is the SMILES notation for 1-bromo-4-phenylpiperidine?
The canonical SMILES for 1-bromo-4-phenylpiperidine is BrN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-bromo-4-phenylpiperidine?
The InChIKey is PBBVWRCWKMMSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-13-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 1-bromo-4-phenylpiperidine?
1-bromo-4-phenylpiperidine has a molecular weight of 240.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenylpiperidine is sourced from PubChem (CID 89020756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).