tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane

C17H31Cl2NO2 — CID 123745424

IUPACtert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane
SMILESCCC/C=C\C1CCN(C(=O)OC(C)(C)C)CC1.ClCCCl
InChIInChI=1S/C15H27NO2.C2H4Cl2/c1-5-6-7-8-13-9-11-16(12-10-13)14(17)18-15(2,3)4;3-1-2-4/h7-8,13H,5-6,9-12H2,1-4H3;1-2H2/b8-7-;
InChIKeyLKKCSPTXVKNLGB-CFYXSCKTSA-N
MW352.35 g/mol
LogP5.45
Rot. Bonds4

About tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane

tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane (PubChem CID 123745424) has the molecular formula C17H31Cl2NO2 and a molecular weight of 352.35 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane.

Molecular Properties

Compound Nametert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane
PubChem CID123745424
Molecular FormulaC17H31Cl2NO2
Molecular Weight352.35 g/mol
Exact Mass351.17
IUPAC Nametert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane
SMILESCCC/C=C\C1CCN(C(=O)OC(C)(C)C)CC1.ClCCCl
InChIInChI=1S/C15H27NO2.C2H4Cl2/c1-5-6-7-8-13-9-11-16(12-10-13)14(17)18-15(2,3)4;3-1-2-4/h7-8,13H,5-6,9-12H2,1-4H3;1-2H2/b8-7-;
InChIKeyLKKCSPTXVKNLGB-CFYXSCKTSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 134982303
tert-butyl 4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 135345221
tert-butyl 4-[(E)-3-amino-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 122714834
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
tert-butyl (2S)-2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162399038
tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 11474132
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405
tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate
CID 156725948
bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814
tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate
CID 126844516
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane?
The IUPAC name of tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane (CID 123745424) is tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane.
What is the SMILES notation for tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane?
The canonical SMILES for tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane is CCC/C=C\C1CCN(C(=O)OC(C)(C)C)CC1.ClCCCl.
What is the InChIKey of tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane?
The InChIKey is LKKCSPTXVKNLGB-CFYXSCKTSA-N. The full InChI is InChI=1S/C15H27NO2.C2H4Cl2/c1-5-6-7-8-13-9-11-16(12-10-13)14(17)18-15(2,3)4;3-1-2-4/h7-8,13H,5-6,9-12H2,1-4H3;1-2H2/b8-7-;.
What are the key properties of tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane?
tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane has a molecular weight of 352.35 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane is sourced from PubChem (CID 123745424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).