methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate

C10H16BrNO2 — CID 115371331

IUPACmethyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
SMILESC=C(Br)CN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C10H16BrNO2/c1-8(11)7-12-6-4-3-5-9(12)10(13)14-2/h9H,1,3-7H2,2H3/t9-/m1/s1
InChIKeyFUNNGTDPAAXAOJ-SECBINFHSA-N
MW262.15 g/mol
LogP1.92
Rot. Bonds3

About methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate

methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate (PubChem CID 115371331) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
PubChem CID115371331
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Namemethyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
SMILESC=C(Br)CN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C10H16BrNO2/c1-8(11)7-12-6-4-3-5-9(12)10(13)14-2/h9H,1,3-7H2,2H3/t9-/m1/s1
InChIKeyFUNNGTDPAAXAOJ-SECBINFHSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
CID 81002268
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786
methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835226
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-2-carboxylate
CID 47129787
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835554

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate (CID 115371331) is methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate is C=C(Br)CN1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
The InChIKey is FUNNGTDPAAXAOJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-8(11)7-12-6-4-3-5-9(12)10(13)14-2/h9H,1,3-7H2,2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate has a molecular weight of 262.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate is sourced from PubChem (CID 115371331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).