4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine

C12H17BrN2O2 — CID 169006400

IUPAC4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
SMILESBrc1ccc(OCCCN2CCOCC2)cn1
InChIInChI=1S/C12H17BrN2O2/c13-12-3-2-11(10-14-12)17-7-1-4-15-5-8-16-9-6-15/h2-3,10H,1,4-9H2
InChIKeyDCOCBJTYDDKTML-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.95
Rot. Bonds5

About 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine

4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine (PubChem CID 169006400) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
PubChem CID169006400
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
SMILESBrc1ccc(OCCCN2CCOCC2)cn1
InChIInChI=1S/C12H17BrN2O2/c13-12-3-2-11(10-14-12)17-7-1-4-15-5-8-16-9-6-15/h2-3,10H,1,4-9H2
InChIKeyDCOCBJTYDDKTML-UHFFFAOYSA-N
XLogP1.95
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
4-[3-[(3-methyl-3H-indol-5-yl)oxy]propyl]morpholine
CID 143477148
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
2-bromo-5-(3-chloropropoxy)pyridine
CID 137352816
2-bromo-5-butoxypyridine
CID 87199523
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
CID 126697388

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine (CID 169006400) is 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine is Brc1ccc(OCCCN2CCOCC2)cn1.
What is the InChIKey of 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine?
The InChIKey is DCOCBJTYDDKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-12-3-2-11(10-14-12)17-7-1-4-15-5-8-16-9-6-15/h2-3,10H,1,4-9H2.
What are the key properties of 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine?
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine has a molecular weight of 301.18 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine is sourced from PubChem (CID 169006400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).