4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine

C14H20BrN3O — CID 122137733

IUPAC4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
SMILESCC1CN(c2cncc(Br)c2)CC1N1CCOCC1
InChIInChI=1S/C14H20BrN3O/c1-11-9-18(13-6-12(15)7-16-8-13)10-14(11)17-2-4-19-5-3-17/h6-8,11,14H,2-5,9-10H2,1H3
InChIKeyGPAUZZMJZCVTLD-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.00
Rot. Bonds2

About 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine

4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine (PubChem CID 122137733) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
PubChem CID122137733
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
SMILESCC1CN(c2cncc(Br)c2)CC1N1CCOCC1
InChIInChI=1S/C14H20BrN3O/c1-11-9-18(13-6-12(15)7-16-8-13)10-14(11)17-2-4-19-5-3-17/h6-8,11,14H,2-5,9-10H2,1H3
InChIKeyGPAUZZMJZCVTLD-UHFFFAOYSA-N
XLogP2.00
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine (CID 122137733) is 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine is CC1CN(c2cncc(Br)c2)CC1N1CCOCC1.
What is the InChIKey of 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
The InChIKey is GPAUZZMJZCVTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11-9-18(13-6-12(15)7-16-8-13)10-14(11)17-2-4-19-5-3-17/h6-8,11,14H,2-5,9-10H2,1H3.
What are the key properties of 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine has a molecular weight of 326.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 122137733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).