4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine

C12H23BrN2O — CID 80675433

IUPAC4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
SMILESBrCC1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C12H23BrN2O/c13-11-12-1-3-14(4-2-12)5-6-15-7-9-16-10-8-15/h12H,1-11H2
InChIKeyHNJCSGFTFFZIIE-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.43
Rot. Bonds4

About 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine

4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine (PubChem CID 80675433) has the molecular formula C12H23BrN2O and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
PubChem CID80675433
Molecular FormulaC12H23BrN2O
Molecular Weight291.23 g/mol
Exact Mass290.10
IUPAC Name4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
SMILESBrCC1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C12H23BrN2O/c13-11-12-1-3-14(4-2-12)5-6-15-7-9-16-10-8-15/h12H,1-11H2
InChIKeyHNJCSGFTFFZIIE-UHFFFAOYSA-N
XLogP1.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-(2-bromoethyl)pyrrolidin-1-yl]ethyl]morpholine
CID 114800432
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295
4-(3-bromopropyl)morpholine
CID 13034048
4-(2-bromoethyl)morpholine;hydron;chloride
CID 137370689
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
ethane;4-propylmorpholine
CID 143004992
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine (CID 80675433) is 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine is BrCC1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine?
The InChIKey is HNJCSGFTFFZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O/c13-11-12-1-3-14(4-2-12)5-6-15-7-9-16-10-8-15/h12H,1-11H2.
What are the key properties of 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine?
4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine has a molecular weight of 291.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 80675433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).