tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate

C15H25Cl2NO3 — CID 83205696

IUPACtert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate
SMILESCCC1(OCC(Cl)=CCl)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25Cl2NO3/c1-5-15(20-10-12(17)9-16)7-6-8-18(11-15)13(19)21-14(2,3)4/h9H,5-8,10-11H2,1-4H3
InChIKeyGVJCBYMNMKUSFP-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.50
Rot. Bonds4

About tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate

tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate (PubChem CID 83205696) has the molecular formula C15H25Cl2NO3 and a molecular weight of 338.28 g/mol. Its IUPAC name is tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate
PubChem CID83205696
Molecular FormulaC15H25Cl2NO3
Molecular Weight338.28 g/mol
Exact Mass337.12
IUPAC Nametert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate
SMILESCCC1(OCC(Cl)=CCl)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25Cl2NO3/c1-5-15(20-10-12(17)9-16)7-6-8-18(11-15)13(19)21-14(2,3)4/h9H,5-8,10-11H2,1-4H3
InChIKeyGVJCBYMNMKUSFP-UHFFFAOYSA-N
XLogP4.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(3-chloro-2-methylprop-2-enoxy)-3-ethylpyrrolidine-1-carboxylate
CID 106439139
tert-butyl 3-ethyl-3-(2-methylprop-2-enoxy)pyrrolidine-1-carboxylate
CID 83206245
tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate
CID 103916363
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl 3-(2,2-diethoxyethoxy)-3-ethylpyrrolidine-1-carboxylate
CID 103916089
tert-butyl 3-(iodomethyl)-3-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773147
tert-butyl 3-but-3-ynoxy-3-ethylpyrrolidine-1-carboxylate
CID 83207573
tert-butyl 3-ethyl-3-(5-hydroxypentoxy)pyrrolidine-1-carboxylate
CID 106938792
tert-butyl 3-ethyl-3-(3-ethylsulfonylpropoxy)pyrrolidine-1-carboxylate
CID 103916177
tert-butyl 3-(iodomethyl)-3-(2-methoxy-2-methylpropoxy)piperidine-1-carboxylate
CID 165492993
tert-butyl 3-ethyl-3-hept-6-enoxypyrrolidine-1-carboxylate
CID 107007740
tert-butyl 3-(1-cyclopropylethoxy)-3-(iodomethyl)piperidine-1-carboxylate
CID 165494512

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate (CID 83205696) is tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate is CCC1(OCC(Cl)=CCl)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate?
The InChIKey is GVJCBYMNMKUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2NO3/c1-5-15(20-10-12(17)9-16)7-6-8-18(11-15)13(19)21-14(2,3)4/h9H,5-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate?
tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate has a molecular weight of 338.28 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 83205696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).