1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine

C19H22BrNO — CID 69069882

IUPAC1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine
SMILESCC1CN(Cc2ccccc2)CCC1Oc1cccc(Br)c1
InChIInChI=1S/C19H22BrNO/c1-15-13-21(14-16-6-3-2-4-7-16)11-10-19(15)22-18-9-5-8-17(20)12-18/h2-9,12,15,19H,10-11,13-14H2,1H3
InChIKeyMILIUWBHNBBHTO-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.74
Rot. Bonds4

About 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine

1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine (PubChem CID 69069882) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine
PubChem CID69069882
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC Name1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine
SMILESCC1CN(Cc2ccccc2)CCC1Oc1cccc(Br)c1
InChIInChI=1S/C19H22BrNO/c1-15-13-21(14-16-6-3-2-4-7-16)11-10-19(15)22-18-9-5-8-17(20)12-18/h2-9,12,15,19H,10-11,13-14H2,1H3
InChIKeyMILIUWBHNBBHTO-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
The IUPAC name of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine (CID 69069882) is 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine.
What is the SMILES notation for 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
The canonical SMILES for 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine is CC1CN(Cc2ccccc2)CCC1Oc1cccc(Br)c1.
What is the InChIKey of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
The InChIKey is MILIUWBHNBBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO/c1-15-13-21(14-16-6-3-2-4-7-16)11-10-19(15)22-18-9-5-8-17(20)12-18/h2-9,12,15,19H,10-11,13-14H2,1H3.
What are the key properties of 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine?
1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine has a molecular weight of 360.30 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine is sourced from PubChem (CID 69069882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).