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

C14H25NO4 — CID 22730395

IUPAC4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-6-18-12(17)15-9-7-14(5,8-10-15)11(16)19-13(2,3)4/h6-10H2,1-5H3
InChIKeyNIYVCSHGKITEHC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds2

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

4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate (PubChem CID 22730395) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
PubChem CID22730395
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-6-18-12(17)15-9-7-14(5,8-10-15)11(16)19-13(2,3)4/h6-10H2,1-5H3
InChIKeyNIYVCSHGKITEHC-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
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 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate (CID 22730395) is 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate is CCOC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate?
The InChIKey is NIYVCSHGKITEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-18-12(17)15-9-7-14(5,8-10-15)11(16)19-13(2,3)4/h6-10H2,1-5H3.
What are the key properties of 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate?
4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate is sourced from PubChem (CID 22730395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).