2-piperidin-1-ylethyl 2,3-dibromopropanoate

C10H17Br2NO2 — CID 162509304

IUPAC2-piperidin-1-ylethyl 2,3-dibromopropanoate
SMILESO=C(OCCN1CCCCC1)C(Br)CBr
InChIInChI=1S/C10H17Br2NO2/c11-8-9(12)10(14)15-7-6-13-4-2-1-3-5-13/h9H,1-8H2
InChIKeyYSNBKWGZLYMVIA-UHFFFAOYSA-N
MW343.06 g/mol
LogP2.17
Rot. Bonds5

About 2-piperidin-1-ylethyl 2,3-dibromopropanoate

2-piperidin-1-ylethyl 2,3-dibromopropanoate (PubChem CID 162509304) has the molecular formula C10H17Br2NO2 and a molecular weight of 343.06 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2,3-dibromopropanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2,3-dibromopropanoate
PubChem CID162509304
Molecular FormulaC10H17Br2NO2
Molecular Weight343.06 g/mol
Exact Mass340.96
IUPAC Name2-piperidin-1-ylethyl 2,3-dibromopropanoate
SMILESO=C(OCCN1CCCCC1)C(Br)CBr
InChIInChI=1S/C10H17Br2NO2/c11-8-9(12)10(14)15-7-6-13-4-2-1-3-5-13/h9H,1-8H2
InChIKeyYSNBKWGZLYMVIA-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.06
LogP ≤ 52.17
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

2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046846
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393
diethyl 2-(2-piperidin-1-ylethoxy)propanedioate
CID 57233413
4-O-[2-(azepan-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 90453515

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2,3-dibromopropanoate?
The IUPAC name of 2-piperidin-1-ylethyl 2,3-dibromopropanoate (CID 162509304) is 2-piperidin-1-ylethyl 2,3-dibromopropanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2,3-dibromopropanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2,3-dibromopropanoate is O=C(OCCN1CCCCC1)C(Br)CBr.
What is the InChIKey of 2-piperidin-1-ylethyl 2,3-dibromopropanoate?
The InChIKey is YSNBKWGZLYMVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br2NO2/c11-8-9(12)10(14)15-7-6-13-4-2-1-3-5-13/h9H,1-8H2.
What are the key properties of 2-piperidin-1-ylethyl 2,3-dibromopropanoate?
2-piperidin-1-ylethyl 2,3-dibromopropanoate has a molecular weight of 343.06 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2,3-dibromopropanoate is sourced from PubChem (CID 162509304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).