2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine

C15H22BrN — CID 117271757

IUPAC2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine
SMILESCCC1(CCc2ccc(Br)cc2)CCCCN1
InChIInChI=1S/C15H22BrN/c1-2-15(10-3-4-12-17-15)11-9-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3
InChIKeyGKTOOIWRUDOTIX-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.30
Rot. Bonds4

About 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine

2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine (PubChem CID 117271757) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine
PubChem CID117271757
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine
SMILESCCC1(CCc2ccc(Br)cc2)CCCCN1
InChIInChI=1S/C15H22BrN/c1-2-15(10-3-4-12-17-15)11-9-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3
InChIKeyGKTOOIWRUDOTIX-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine (CID 117271757) is 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine is CCC1(CCc2ccc(Br)cc2)CCCCN1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine?
The InChIKey is GKTOOIWRUDOTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-2-15(10-3-4-12-17-15)11-9-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine?
2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine has a molecular weight of 296.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-2-ethylpiperidine is sourced from PubChem (CID 117271757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).