ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate

C11H18BrNO2 — CID 78968925

IUPACethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
SMILESC=C(Br)CN1CCCCC1C(=O)OCC
InChIInChI=1S/C11H18BrNO2/c1-3-15-11(14)10-6-4-5-7-13(10)8-9(2)12/h10H,2-8H2,1H3
InChIKeyXRJWCLKKKSMEHY-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.31
Rot. Bonds4

About ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate

ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate (PubChem CID 78968925) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
PubChem CID78968925
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Nameethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
SMILESC=C(Br)CN1CCCCC1C(=O)OCC
InChIInChI=1S/C11H18BrNO2/c1-3-15-11(14)10-6-4-5-7-13(10)8-9(2)12/h10H,2-8H2,1H3
InChIKeyXRJWCLKKKSMEHY-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
ethyl 1-[2-(bromomethyl)-2-ethylbutyl]piperidine-2-carboxylate
CID 115539021
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(3-chloro-2-hydroxypropyl)piperidine-2-carboxylate
CID 112561825

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate (CID 78968925) is ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate is C=C(Br)CN1CCCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
The InChIKey is XRJWCLKKKSMEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-3-15-11(14)10-6-4-5-7-13(10)8-9(2)12/h10H,2-8H2,1H3.
What are the key properties of ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate has a molecular weight of 276.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate is sourced from PubChem (CID 78968925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).