5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine

C14H21BrN2O2 — CID 133448525

IUPAC5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine
SMILESCOCCOC1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2O2/c1-11-9-14(16-10-13(11)15)17-5-3-12(4-6-17)19-8-7-18-2/h9-10,12H,3-8H2,1-2H3
InChIKeyDTRDTBZDQPQCSQ-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.78
Rot. Bonds5

About 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine

5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine (PubChem CID 133448525) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine
PubChem CID133448525
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine
SMILESCOCCOC1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2O2/c1-11-9-14(16-10-13(11)15)17-5-3-12(4-6-17)19-8-7-18-2/h9-10,12H,3-8H2,1-2H3
InChIKeyDTRDTBZDQPQCSQ-UHFFFAOYSA-N
XLogP2.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine?
The IUPAC name of 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine (CID 133448525) is 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine?
The canonical SMILES for 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine is COCCOC1CCN(c2cc(C)c(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine?
The InChIKey is DTRDTBZDQPQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11-9-14(16-10-13(11)15)17-5-3-12(4-6-17)19-8-7-18-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine?
5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine has a molecular weight of 329.24 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine is sourced from PubChem (CID 133448525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).