3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine

C15H22BrNO — CID 117497485

IUPAC3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
SMILESCOc1c(C(C)C)cc(Br)cc1C1CCCNC1
InChIInChI=1S/C15H22BrNO/c1-10(2)13-7-12(16)8-14(15(13)18-3)11-5-4-6-17-9-11/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyDFEQQKORYNBWGZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.05
Rot. Bonds3

About 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine

3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine (PubChem CID 117497485) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
PubChem CID117497485
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
SMILESCOc1c(C(C)C)cc(Br)cc1C1CCCNC1
InChIInChI=1S/C15H22BrNO/c1-10(2)13-7-12(16)8-14(15(13)18-3)11-5-4-6-17-9-11/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyDFEQQKORYNBWGZ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497494
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
CID 117479597
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
The IUPAC name of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine (CID 117497485) is 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
The canonical SMILES for 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine is COc1c(C(C)C)cc(Br)cc1C1CCCNC1.
What is the InChIKey of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
The InChIKey is DFEQQKORYNBWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10(2)13-7-12(16)8-14(15(13)18-3)11-5-4-6-17-9-11/h7-8,10-11,17H,4-6,9H2,1-3H3.
What are the key properties of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine has a molecular weight of 312.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117497485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).