4-(4-bromophenyl)-4-methoxy-1-methylpiperidine

C13H18BrNO — CID 58266743

IUPAC4-(4-bromophenyl)-4-methoxy-1-methylpiperidine
SMILESCOC1(c2ccc(Br)cc2)CCN(C)CC1
InChIInChI=1S/C13H18BrNO/c1-15-9-7-13(16-2,8-10-15)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyWHHADYQDGWRATB-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.02
Rot. Bonds2

About 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine

4-(4-bromophenyl)-4-methoxy-1-methylpiperidine (PubChem CID 58266743) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-4-methoxy-1-methylpiperidine
PubChem CID58266743
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-(4-bromophenyl)-4-methoxy-1-methylpiperidine
SMILESCOC1(c2ccc(Br)cc2)CCN(C)CC1
InChIInChI=1S/C13H18BrNO/c1-15-9-7-13(16-2,8-10-15)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyWHHADYQDGWRATB-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine?
The IUPAC name of 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine (CID 58266743) is 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine.
What is the SMILES notation for 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine?
The canonical SMILES for 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine is COC1(c2ccc(Br)cc2)CCN(C)CC1.
What is the InChIKey of 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine?
The InChIKey is WHHADYQDGWRATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-15-9-7-13(16-2,8-10-15)11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine?
4-(4-bromophenyl)-4-methoxy-1-methylpiperidine has a molecular weight of 284.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-methoxy-1-methylpiperidine is sourced from PubChem (CID 58266743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).