4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine

C14H20BrNO — CID 117480591

IUPAC4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
SMILESCOc1cc(C)c(C2CCNCC2)c(C)c1Br
InChIInChI=1S/C14H20BrNO/c1-9-8-12(17-3)14(15)10(2)13(9)11-4-6-16-7-5-11/h8,11,16H,4-7H2,1-3H3
InChIKeyINWIDLBUKYFZKK-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.54
Rot. Bonds2

About 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine

4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine (PubChem CID 117480591) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
PubChem CID117480591
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
SMILESCOc1cc(C)c(C2CCNCC2)c(C)c1Br
InChIInChI=1S/C14H20BrNO/c1-9-8-12(17-3)14(15)10(2)13(9)11-4-6-16-7-5-11/h8,11,16H,4-7H2,1-3H3
InChIKeyINWIDLBUKYFZKK-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497527
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine?
The IUPAC name of 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine (CID 117480591) is 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine.
What is the SMILES notation for 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine?
The canonical SMILES for 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine is COc1cc(C)c(C2CCNCC2)c(C)c1Br.
What is the InChIKey of 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine?
The InChIKey is INWIDLBUKYFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-8-12(17-3)14(15)10(2)13(9)11-4-6-16-7-5-11/h8,11,16H,4-7H2,1-3H3.
What are the key properties of 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine?
4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine has a molecular weight of 298.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine is sourced from PubChem (CID 117480591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).