1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate

C15H25NO4 — CID 67479344

IUPAC1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate
SMILESC=CCC1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-6-8-15(12(17)19-5)9-7-10-16(11-15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3
InChIKeyGGRLBVMLDQSJRR-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.75
Rot. Bonds3

About 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate (PubChem CID 67479344) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate
PubChem CID67479344
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate
SMILESC=CCC1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-6-8-15(12(17)19-5)9-7-10-16(11-15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3
InChIKeyGGRLBVMLDQSJRR-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86314284
1-O-tert-butyl 3-O-methyl 3-(3-hydroxypropyl)pyrrolidine-1,3-dicarboxylate;1-O-tert-butyl 3-O-methyl 3-(3-methoxypropyl)pyrrolidine-1,3-dicarboxylate;1-O-tert-butyl 3-O-methyl 3-prop-2-enylpyrrolidine-1,3-dicarboxylate;methane
CID 159476747
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
3-(chloromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 121003905
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 79422861
tert-butyl 4-[(E)-2-methoxyethenyl]-4-prop-2-enylazepane-1-carboxylate
CID 176829815
6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate
CID 177329745
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
(3S)-3-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97159085

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate (CID 67479344) is 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate is C=CCC1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate?
The InChIKey is GGRLBVMLDQSJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-6-8-15(12(17)19-5)9-7-10-16(11-15)13(18)20-14(2,3)4/h6H,1,7-11H2,2-5H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.75, 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 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate is sourced from PubChem (CID 67479344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).