1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine

C19H22BrNO — CID 20628316

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine
SMILESCOc1ccc(Br)cc1CN1CCCCC1c1ccccc1
InChIInChI=1S/C19H22BrNO/c1-22-19-11-10-17(20)13-16(19)14-21-12-6-5-9-18(21)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3
InChIKeySUKLHDOJHWZHLG-UHFFFAOYSA-N
MW360.30 g/mol
LogP5.18
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine

1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine (PubChem CID 20628316) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine
PubChem CID20628316
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine
SMILESCOc1ccc(Br)cc1CN1CCCCC1c1ccccc1
InChIInChI=1S/C19H22BrNO/c1-22-19-11-10-17(20)13-16(19)14-21-12-6-5-9-18(21)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3
InChIKeySUKLHDOJHWZHLG-UHFFFAOYSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine (CID 20628316) is 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine is COc1ccc(Br)cc1CN1CCCCC1c1ccccc1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine?
The InChIKey is SUKLHDOJHWZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO/c1-22-19-11-10-17(20)13-16(19)14-21-12-6-5-9-18(21)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine?
1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine has a molecular weight of 360.30 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidine is sourced from PubChem (CID 20628316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).