4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine

C14H20BrNO — CID 117480594

IUPAC4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
SMILESCCc1c(Br)cc(C2CCNCC2)cc1OC
InChIInChI=1S/C14H20BrNO/c1-3-12-13(15)8-11(9-14(12)17-2)10-4-6-16-7-5-10/h8-10,16H,3-7H2,1-2H3
InChIKeyHDBMQTFRLVPSKY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.49
Rot. Bonds3

About 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine

4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine (PubChem CID 117480594) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
PubChem CID117480594
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
SMILESCCc1c(Br)cc(C2CCNCC2)cc1OC
InChIInChI=1S/C14H20BrNO/c1-3-12-13(15)8-11(9-14(12)17-2)10-4-6-16-7-5-10/h8-10,16H,3-7H2,1-2H3
InChIKeyHDBMQTFRLVPSKY-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethoxy-4-piperidin-4-ylaniline
CID 117345445
4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
CID 84815988
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
CID 117499628
4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
CID 117456299
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]pyrrolidine
CID 117465145
2-bromo-6-methyl-4-piperidin-4-ylphenol
CID 84712705
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421921
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine?
The IUPAC name of 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine (CID 117480594) is 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine.
What is the SMILES notation for 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine?
The canonical SMILES for 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine is CCc1c(Br)cc(C2CCNCC2)cc1OC.
What is the InChIKey of 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine?
The InChIKey is HDBMQTFRLVPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-12-13(15)8-11(9-14(12)17-2)10-4-6-16-7-5-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine?
4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine has a molecular weight of 298.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine is sourced from PubChem (CID 117480594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).