1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol

C15H23BrN2O2 — CID 104800320

IUPAC1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cncc(Br)c1)N1CCOCC1
InChIInChI=1S/C15H23BrN2O2/c1-3-15(2,18-4-6-20-7-5-18)14(19)9-12-8-13(16)11-17-10-12/h8,10-11,14,19H,3-7,9H2,1-2H3
InChIKeyUDMYOINJCQCZDX-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.25
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol

1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol (PubChem CID 104800320) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
PubChem CID104800320
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cncc(Br)c1)N1CCOCC1
InChIInChI=1S/C15H23BrN2O2/c1-3-15(2,18-4-6-20-7-5-18)14(19)9-12-8-13(16)11-17-10-12/h8,10-11,14,19H,3-7,9H2,1-2H3
InChIKeyUDMYOINJCQCZDX-UHFFFAOYSA-N
XLogP2.25
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 104802978
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
[1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 105240025
3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol
CID 79065174
[1-(5-bromo-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241024
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 104802967
1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713811
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 107308193
2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol
CID 116754077

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol (CID 104800320) is 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol is CCC(C)(C(O)Cc1cncc(Br)c1)N1CCOCC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
The InChIKey is UDMYOINJCQCZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-15(2,18-4-6-20-7-5-18)14(19)9-12-8-13(16)11-17-10-12/h8,10-11,14,19H,3-7,9H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol?
1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol has a molecular weight of 343.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol is sourced from PubChem (CID 104800320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).