1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate

C15H25NO4 — CID 11022403

IUPAC1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate
SMILESC=CCC1(C(=O)OC)CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-6-9-15(12(17)19-5)10-7-8-11-16(15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3
InChIKeyYBNVEAKEIQFNRL-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.90
Rot. Bonds3

About 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate (PubChem CID 11022403) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate
PubChem CID11022403
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate
SMILESC=CCC1(C(=O)OC)CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-6-9-15(12(17)19-5)10-7-8-11-16(15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3
InChIKeyYBNVEAKEIQFNRL-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate (CID 11022403) is 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate is C=CCC1(C(=O)OC)CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate?
The InChIKey is YBNVEAKEIQFNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-6-9-15(12(17)19-5)10-7-8-11-16(15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 2-prop-2-enylpiperidine-1,2-dicarboxylate is sourced from PubChem (CID 11022403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).