2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate

C10H15Br2NO4 — CID 162508841

IUPAC2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate
SMILESO=C(OCCOC(=O)C1CCNCC1)C(Br)Br
InChIInChI=1S/C10H15Br2NO4/c11-8(12)10(15)17-6-5-16-9(14)7-1-3-13-4-2-7/h7-8,13H,1-6H2
InChIKeyOGAYHEITICYVSP-UHFFFAOYSA-N
MW373.04 g/mol
LogP1.19
Rot. Bonds5

About 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate

2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate (PubChem CID 162508841) has the molecular formula C10H15Br2NO4 and a molecular weight of 373.04 g/mol. Its IUPAC name is 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate
PubChem CID162508841
Molecular FormulaC10H15Br2NO4
Molecular Weight373.04 g/mol
Exact Mass370.94
IUPAC Name2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate
SMILESO=C(OCCOC(=O)C1CCNCC1)C(Br)Br
InChIInChI=1S/C10H15Br2NO4/c11-8(12)10(15)17-6-5-16-9(14)7-1-3-13-4-2-7/h7-8,13H,1-6H2
InChIKeyOGAYHEITICYVSP-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dibromoacetyl)oxyethyl 3-aminocyclohexane-1-carboxylate
CID 162508388
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
piperidine-4-carboperoxoic acid
CID 19094880
2-morpholin-4-ylethyl piperidine-4-carboxylate;hydrochloride
CID 118522364
2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate
CID 112588197
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088
4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
CID 164933248
(4-oxocyclohexyl)methyl piperidine-4-carboxylate
CID 170173347
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
2-(1-sulfanylethoxy)ethyl cyclohexanecarboxylate
CID 147800283
2-fluoroethyl cyclopropanecarboxylate
CID 130693210

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate?
The IUPAC name of 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate (CID 162508841) is 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate.
What is the SMILES notation for 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate?
The canonical SMILES for 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate is O=C(OCCOC(=O)C1CCNCC1)C(Br)Br.
What is the InChIKey of 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate?
The InChIKey is OGAYHEITICYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO4/c11-8(12)10(15)17-6-5-16-9(14)7-1-3-13-4-2-7/h7-8,13H,1-6H2.
What are the key properties of 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate?
2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate has a molecular weight of 373.04 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate is sourced from PubChem (CID 162508841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).