4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine

C12H17BrN2O — CID 115591758

IUPAC4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1Cc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2)9-16-4-3-15(12)8-10-5-11(13)7-14-6-10/h5-7H,3-4,8-9H2,1-2H3
InChIKeyIZGZMRRDFGHJFI-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.45
Rot. Bonds2

About 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine

4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine (PubChem CID 115591758) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine
PubChem CID115591758
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1Cc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2)9-16-4-3-15(12)8-10-5-11(13)7-14-6-10/h5-7H,3-4,8-9H2,1-2H3
InChIKeyIZGZMRRDFGHJFI-UHFFFAOYSA-N
XLogP2.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylpiperazine
CID 115741515
1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 104812423
5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62207578
4-bromo-2-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 82986046
4-[(5-bromo-3-pyridinyl)methyl]morpholine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]morpholine
CID 158944484
[5-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]hydrazine
CID 62245156
1-[(5-bromo-3-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 104812447
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 104812598
[4-[(3,3-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970969
2-amino-4-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 61429705
4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine
CID 79255986
N-[(5-bromo-3-pyridinyl)methyl]-3-methyloxan-3-amine
CID 104857038

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine (CID 115591758) is 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine is CC1(C)COCCN1Cc1cncc(Br)c1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine?
The InChIKey is IZGZMRRDFGHJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2)9-16-4-3-15(12)8-10-5-11(13)7-14-6-10/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine?
4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine has a molecular weight of 285.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 115591758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).