2-[(2-bromophenyl)methyl]-2-ethylpiperidine

C14H20BrN — CID 115058886

IUPAC2-[(2-bromophenyl)methyl]-2-ethylpiperidine
SMILESCCC1(Cc2ccccc2Br)CCCCN1
InChIInChI=1S/C14H20BrN/c1-2-14(9-5-6-10-16-14)11-12-7-3-4-8-13(12)15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
InChIKeyZSHMAPGNBUMZCQ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.91
Rot. Bonds3

About 2-[(2-bromophenyl)methyl]-2-ethylpiperidine

2-[(2-bromophenyl)methyl]-2-ethylpiperidine (PubChem CID 115058886) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-2-ethylpiperidine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-2-ethylpiperidine
PubChem CID115058886
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-[(2-bromophenyl)methyl]-2-ethylpiperidine
SMILESCCC1(Cc2ccccc2Br)CCCCN1
InChIInChI=1S/C14H20BrN/c1-2-14(9-5-6-10-16-14)11-12-7-3-4-8-13(12)15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
InChIKeyZSHMAPGNBUMZCQ-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-2-ethylpiperidine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-2-ethylpiperidine (CID 115058886) is 2-[(2-bromophenyl)methyl]-2-ethylpiperidine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-2-ethylpiperidine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-2-ethylpiperidine is CCC1(Cc2ccccc2Br)CCCCN1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-2-ethylpiperidine?
The InChIKey is ZSHMAPGNBUMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-14(9-5-6-10-16-14)11-12-7-3-4-8-13(12)15/h3-4,7-8,16H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-2-ethylpiperidine?
2-[(2-bromophenyl)methyl]-2-ethylpiperidine has a molecular weight of 282.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-2-ethylpiperidine is sourced from PubChem (CID 115058886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).