2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine

C24H24BrClN2O2 — CID 11397652

IUPAC2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine
SMILESClc1ccc(COc2ccc(Br)cc2CN2CCC(Oc3ccccn3)CC2)cc1
InChIInChI=1S/C24H24BrClN2O2/c25-20-6-9-23(29-17-18-4-7-21(26)8-5-18)19(15-20)16-28-13-10-22(11-14-28)30-24-3-1-2-12-27-24/h1-9,12,15,22H,10-11,13-14,16-17H2
InChIKeyBYKVAPNPCUOUFA-UHFFFAOYSA-N
MW487.83 g/mol
LogP6.12
Rot. Bonds7

About 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine

2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine (PubChem CID 11397652) has the molecular formula C24H24BrClN2O2 and a molecular weight of 487.83 g/mol. Its IUPAC name is 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine
PubChem CID11397652
Molecular FormulaC24H24BrClN2O2
Molecular Weight487.83 g/mol
Exact Mass486.07
IUPAC Name2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine
SMILESClc1ccc(COc2ccc(Br)cc2CN2CCC(Oc3ccccn3)CC2)cc1
InChIInChI=1S/C24H24BrClN2O2/c25-20-6-9-23(29-17-18-4-7-21(26)8-5-18)19(15-20)16-28-13-10-22(11-14-28)30-24-3-1-2-12-27-24/h1-9,12,15,22H,10-11,13-14,16-17H2
InChIKeyBYKVAPNPCUOUFA-UHFFFAOYSA-N
XLogP6.12
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine (CID 11397652) is 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine is Clc1ccc(COc2ccc(Br)cc2CN2CCC(Oc3ccccn3)CC2)cc1.
What is the InChIKey of 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine?
The InChIKey is BYKVAPNPCUOUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O2/c25-20-6-9-23(29-17-18-4-7-21(26)8-5-18)19(15-20)16-28-13-10-22(11-14-28)30-24-3-1-2-12-27-24/h1-9,12,15,22H,10-11,13-14,16-17H2.
What are the key properties of 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine?
2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine has a molecular weight of 487.83 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 11397652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).