1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate

C15H27NO4 — CID 53393415

IUPAC1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CC)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-6-15(12(17)19-7-2)8-10-16(11-9-15)13(18)20-14(3,4)5/h6-11H2,1-5H3
InChIKeyJLXSBKSGHPCYMR-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.98
Rot. Bonds3

About 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate (PubChem CID 53393415) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate
PubChem CID53393415
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CC)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-6-15(12(17)19-7-2)8-10-16(11-9-15)13(18)20-14(3,4)5/h6-11H2,1-5H3
InChIKeyJLXSBKSGHPCYMR-UHFFFAOYSA-N
XLogP2.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
CID 15852989
1-tert-Butyl 4-ethyl 4-(prop-2-en-1-yl)piperidine-1,4-dicarboxylate
CID 16218270
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
1-tert-Butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate
CID 16218276
1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 21882576
1,4-Di-tert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 21948349

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate (CID 53393415) is 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate is CCOC(=O)C1(CC)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate?
The InChIKey is JLXSBKSGHPCYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-15(12(17)19-7-2)8-10-16(11-9-15)13(18)20-14(3,4)5/h6-11H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.98, 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 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate is sourced from PubChem (CID 53393415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).