3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine

C19H23BrN2O — CID 71541371

IUPAC3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine
SMILESCN1CCC(COCc2cncc(Br)c2)(c2ccccc2)CC1
InChIInChI=1S/C19H23BrN2O/c1-22-9-7-19(8-10-22,17-5-3-2-4-6-17)15-23-14-16-11-18(20)13-21-12-16/h2-6,11-13H,7-10,14-15H2,1H3
InChIKeyDNYAHFKJMPYBQK-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.02
Rot. Bonds5

About 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine

3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine (PubChem CID 71541371) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine
PubChem CID71541371
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine
SMILESCN1CCC(COCc2cncc(Br)c2)(c2ccccc2)CC1
InChIInChI=1S/C19H23BrN2O/c1-22-9-7-19(8-10-22,17-5-3-2-4-6-17)15-23-14-16-11-18(20)13-21-12-16/h2-6,11-13H,7-10,14-15H2,1H3
InChIKeyDNYAHFKJMPYBQK-UHFFFAOYSA-N
XLogP4.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The IUPAC name of 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine (CID 71541371) is 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The canonical SMILES for 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine is CN1CCC(COCc2cncc(Br)c2)(c2ccccc2)CC1.
What is the InChIKey of 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The InChIKey is DNYAHFKJMPYBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-22-9-7-19(8-10-22,17-5-3-2-4-6-17)15-23-14-16-11-18(20)13-21-12-16/h2-6,11-13H,7-10,14-15H2,1H3.
What are the key properties of 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine has a molecular weight of 375.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]pyridine is sourced from PubChem (CID 71541371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).