2-piperidin-1-ylethyl 2-bromoacetate

C9H16BrNO2 — CID 162508900

IUPAC2-piperidin-1-ylethyl 2-bromoacetate
SMILESO=C(CBr)OCCN1CCCCC1
InChIInChI=1S/C9H16BrNO2/c10-8-9(12)13-7-6-11-4-2-1-3-5-11/h1-8H2
InChIKeyQPPBQODQCWSUAL-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.41
Rot. Bonds4

About 2-piperidin-1-ylethyl 2-bromoacetate

2-piperidin-1-ylethyl 2-bromoacetate (PubChem CID 162508900) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-bromoacetate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-bromoacetate
PubChem CID162508900
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name2-piperidin-1-ylethyl 2-bromoacetate
SMILESO=C(CBr)OCCN1CCCCC1
InChIInChI=1S/C9H16BrNO2/c10-8-9(12)13-7-6-11-4-2-1-3-5-11/h1-8H2
InChIKeyQPPBQODQCWSUAL-UHFFFAOYSA-N
XLogP1.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.41
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

bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-piperidin-1-ylethyl 2,3-dibromopropanoate
CID 162509304
2-piperidin-1-ylethyl hexanoate
CID 59204070
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride
CID 138401507
2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046846
2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
2-(azepan-1-yl)ethyl 3,3-diphenylpropanoate;oxalic acid
CID 54582119
2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate
CID 89180853
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-bromoacetate?
The IUPAC name of 2-piperidin-1-ylethyl 2-bromoacetate (CID 162508900) is 2-piperidin-1-ylethyl 2-bromoacetate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-bromoacetate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-bromoacetate is O=C(CBr)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-bromoacetate?
The InChIKey is QPPBQODQCWSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c10-8-9(12)13-7-6-11-4-2-1-3-5-11/h1-8H2.
What are the key properties of 2-piperidin-1-ylethyl 2-bromoacetate?
2-piperidin-1-ylethyl 2-bromoacetate has a molecular weight of 250.14 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-bromoacetate is sourced from PubChem (CID 162508900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).