3-(3-bromophenyl)-4,4-diethylpiperidine

C15H22BrN — CID 79433788

IUPAC3-(3-bromophenyl)-4,4-diethylpiperidine
SMILESCCC1(CC)CCNCC1c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-3-15(4-2)8-9-17-11-14(15)12-6-5-7-13(16)10-12/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3
InChIKeyOJYIWDSZVDZGIW-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.33
Rot. Bonds3

About 3-(3-bromophenyl)-4,4-diethylpiperidine

3-(3-bromophenyl)-4,4-diethylpiperidine (PubChem CID 79433788) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4,4-diethylpiperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4,4-diethylpiperidine
PubChem CID79433788
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name3-(3-bromophenyl)-4,4-diethylpiperidine
SMILESCCC1(CC)CCNCC1c1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-3-15(4-2)8-9-17-11-14(15)12-6-5-7-13(16)10-12/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3
InChIKeyOJYIWDSZVDZGIW-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4,4-diethylpiperidine?
The IUPAC name of 3-(3-bromophenyl)-4,4-diethylpiperidine (CID 79433788) is 3-(3-bromophenyl)-4,4-diethylpiperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4,4-diethylpiperidine?
The canonical SMILES for 3-(3-bromophenyl)-4,4-diethylpiperidine is CCC1(CC)CCNCC1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-4,4-diethylpiperidine?
The InChIKey is OJYIWDSZVDZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-15(4-2)8-9-17-11-14(15)12-6-5-7-13(16)10-12/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-4,4-diethylpiperidine?
3-(3-bromophenyl)-4,4-diethylpiperidine has a molecular weight of 296.25 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4,4-diethylpiperidine is sourced from PubChem (CID 79433788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).