4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine

C13H19BrN2O2 — CID 82701054

IUPAC4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine
SMILESCOc1cc(N2CCC(OCCBr)CC2)ccn1
InChIInChI=1S/C13H19BrN2O2/c1-17-13-10-11(2-6-15-13)16-7-3-12(4-8-16)18-9-5-14/h2,6,10,12H,3-5,7-9H2,1H3
InChIKeyFRTZDFXWWGHWRW-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.47
Rot. Bonds5

About 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine

4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine (PubChem CID 82701054) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine
PubChem CID82701054
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine
SMILESCOc1cc(N2CCC(OCCBr)CC2)ccn1
InChIInChI=1S/C13H19BrN2O2/c1-17-13-10-11(2-6-15-13)16-7-3-12(4-8-16)18-9-5-14/h2,6,10,12H,3-5,7-9H2,1H3
InChIKeyFRTZDFXWWGHWRW-UHFFFAOYSA-N
XLogP2.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine?
The IUPAC name of 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine (CID 82701054) is 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine.
What is the SMILES notation for 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine?
The canonical SMILES for 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine is COc1cc(N2CCC(OCCBr)CC2)ccn1.
What is the InChIKey of 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine?
The InChIKey is FRTZDFXWWGHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-17-13-10-11(2-6-15-13)16-7-3-12(4-8-16)18-9-5-14/h2,6,10,12H,3-5,7-9H2,1H3.
What are the key properties of 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine?
4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine has a molecular weight of 315.21 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine is sourced from PubChem (CID 82701054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).