1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine

C12H15BrClNO — CID 122655353

IUPAC1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine
SMILESCOC1CCN(c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C12H15BrClNO/c1-16-9-5-7-15(8-6-9)11-4-2-3-10(13)12(11)14/h2-4,9H,5-8H2,1H3
InChIKeyFAVYIIRRHSZXBB-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.72
Rot. Bonds2

About 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine

1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine (PubChem CID 122655353) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine
PubChem CID122655353
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine
SMILESCOC1CCN(c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C12H15BrClNO/c1-16-9-5-7-15(8-6-9)11-4-2-3-10(13)12(11)14/h2-4,9H,5-8H2,1H3
InChIKeyFAVYIIRRHSZXBB-UHFFFAOYSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine (CID 122655353) is 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine is COC1CCN(c2cccc(Br)c2Cl)CC1.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine?
The InChIKey is FAVYIIRRHSZXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-16-9-5-7-15(8-6-9)11-4-2-3-10(13)12(11)14/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine?
1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine has a molecular weight of 304.62 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-4-methoxypiperidine is sourced from PubChem (CID 122655353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).