ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate

C10H16BrNO3 — CID 20814354

IUPACethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)CBr)C1
InChIInChI=1S/C10H16BrNO3/c1-2-15-10(14)12-5-3-4-8(7-12)9(13)6-11/h8H,2-7H2,1H3
InChIKeyZPDMXUJEJYYZIO-UHFFFAOYSA-N
MW278.15 g/mol
LogP1.82
Rot. Bonds3

About ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate

ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate (PubChem CID 20814354) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
PubChem CID20814354
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC Nameethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)CBr)C1
InChIInChI=1S/C10H16BrNO3/c1-2-15-10(14)12-5-3-4-8(7-12)9(13)6-11/h8H,2-7H2,1H3
InChIKeyZPDMXUJEJYYZIO-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 51.82
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

ethyl azacycloundecane-1-carboxylate
CID 67670496
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
9H-fluoren-9-ylmethyl (3R)-3-(2-bromoacetyl)piperidine-1-carboxylate;9H-fluoren-9-ylmethyl (3R)-3-carbonochloridoylpiperidine-1-carboxylate
CID 158769633
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 95788654
ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
CID 124590693
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl (3S)-3-(chloromethyl)piperidine-1-carboxylate
CID 124705532
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate (CID 20814354) is ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)CBr)C1.
What is the InChIKey of ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate?
The InChIKey is ZPDMXUJEJYYZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-2-15-10(14)12-5-3-4-8(7-12)9(13)6-11/h8H,2-7H2,1H3.
What are the key properties of ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate?
ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate has a molecular weight of 278.15 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate is sourced from PubChem (CID 20814354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).