methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate

C10H15Cl2NO2 — CID 81002268

IUPACmethyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C10H15Cl2NO2/c1-15-10(14)9-4-2-3-5-13(9)7-8(12)6-11/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyLKEZNLYSGXQEBS-SECBINFHSA-N
MW252.14 g/mol
LogP2.33
Rot. Bonds3

About methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate

methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate (PubChem CID 81002268) has the molecular formula C10H15Cl2NO2 and a molecular weight of 252.14 g/mol. Its IUPAC name is methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
PubChem CID81002268
Molecular FormulaC10H15Cl2NO2
Molecular Weight252.14 g/mol
Exact Mass251.05
IUPAC Namemethyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C10H15Cl2NO2/c1-15-10(14)9-4-2-3-5-13(9)7-8(12)6-11/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyLKEZNLYSGXQEBS-SECBINFHSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
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 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
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-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate (CID 81002268) is methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC(Cl)=CCl.
What is the InChIKey of methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate?
The InChIKey is LKEZNLYSGXQEBS-SECBINFHSA-N. The full InChI is InChI=1S/C10H15Cl2NO2/c1-15-10(14)9-4-2-3-5-13(9)7-8(12)6-11/h6,9H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate?
methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate has a molecular weight of 252.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate is sourced from PubChem (CID 81002268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).