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

C18H21BrN2O — CID 24800925

IUPAC3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
SMILESBrc1cncc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C18H21BrN2O/c19-17-10-15(11-21-12-17)13-22-14-18(6-8-20-9-7-18)16-4-2-1-3-5-16/h1-5,10-12,20H,6-9,13-14H2
InChIKeyVVOGLOJOGOEZPO-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.68
Rot. Bonds5

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

3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine (PubChem CID 24800925) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
PubChem CID24800925
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
SMILESBrc1cncc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C18H21BrN2O/c19-17-10-15(11-21-12-17)13-22-14-18(6-8-20-9-7-18)16-4-2-1-3-5-16/h1-5,10-12,20H,6-9,13-14H2
InChIKeyVVOGLOJOGOEZPO-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The IUPAC name of 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine (CID 24800925) is 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The canonical SMILES for 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine is Brc1cncc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The InChIKey is VVOGLOJOGOEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c19-17-10-15(11-21-12-17)13-22-14-18(6-8-20-9-7-18)16-4-2-1-3-5-16/h1-5,10-12,20H,6-9,13-14H2.
What are the key properties of 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine has a molecular weight of 361.28 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine is sourced from PubChem (CID 24800925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).