4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine

C15H22BrN3O — CID 71978112

IUPAC4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine
SMILESBrc1ccc(N2CCC(CN3CCOCC3)CC2)nc1
InChIInChI=1S/C15H22BrN3O/c16-14-1-2-15(17-11-14)19-5-3-13(4-6-19)12-18-7-9-20-10-8-18/h1-2,11,13H,3-10,12H2
InChIKeyPZXCQWSALWWBLY-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.39
Rot. Bonds3

About 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine

4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine (PubChem CID 71978112) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine
PubChem CID71978112
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine
SMILESBrc1ccc(N2CCC(CN3CCOCC3)CC2)nc1
InChIInChI=1S/C15H22BrN3O/c16-14-1-2-15(17-11-14)19-5-3-13(4-6-19)12-18-7-9-20-10-8-18/h1-2,11,13H,3-10,12H2
InChIKeyPZXCQWSALWWBLY-UHFFFAOYSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.39
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-2-pyridinyl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine (CID 71978112) is 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine is Brc1ccc(N2CCC(CN3CCOCC3)CC2)nc1.
What is the InChIKey of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine?
The InChIKey is PZXCQWSALWWBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c16-14-1-2-15(17-11-14)19-5-3-13(4-6-19)12-18-7-9-20-10-8-18/h1-2,11,13H,3-10,12H2.
What are the key properties of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine?
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine has a molecular weight of 340.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 71978112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).