4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine

C14H20BrN — CID 116925720

IUPAC4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine
SMILESCc1ccc(Br)cc1CCC1CCNCC1
InChIInChI=1S/C14H20BrN/c1-11-2-5-14(15)10-13(11)4-3-12-6-8-16-9-7-12/h2,5,10,12,16H,3-4,6-9H2,1H3
InChIKeyYUVAWBMYSWTAQE-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.69
Rot. Bonds3

About 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine

4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine (PubChem CID 116925720) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine
PubChem CID116925720
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine
SMILESCc1ccc(Br)cc1CCC1CCNCC1
InChIInChI=1S/C14H20BrN/c1-11-2-5-14(15)10-13(11)4-3-12-6-8-16-9-7-12/h2,5,10,12,16H,3-4,6-9H2,1H3
InChIKeyYUVAWBMYSWTAQE-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210044
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
5-bromo-2-(2-piperidin-4-ylethyl)-1,3-benzothiazole
CID 62216200
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
CID 126628314
2-(2-cyclohexylethyl)-1,4-dimethylbenzene
CID 59184196
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine?
The IUPAC name of 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine (CID 116925720) is 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine is Cc1ccc(Br)cc1CCC1CCNCC1.
What is the InChIKey of 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine?
The InChIKey is YUVAWBMYSWTAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11-2-5-14(15)10-13(11)4-3-12-6-8-16-9-7-12/h2,5,10,12,16H,3-4,6-9H2,1H3.
What are the key properties of 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine?
4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine has a molecular weight of 282.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 116925720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).