tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate

C14H25NO4 — CID 11219472

IUPACtert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate
SMILESCCC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-5-12(16)18-10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyMTXVQGPEQYEYHR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate

tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate (PubChem CID 11219472) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate
PubChem CID11219472
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate
SMILESCCC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-5-12(16)18-10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyMTXVQGPEQYEYHR-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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
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
Ethyl 1-((1,1-dimethylethoxy)carbonyl)-4-piperidineacetate
CID 9993342
1-tert-Butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate
CID 16218276
tert-Butyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 21989877
1-[(2-Methylpropoxy)carbonyl]piperidine-4-carboxylic acid
CID 23297951
4-Carboxymethoxymethyl-piperidine-1-carboxylic acid tert-butyl ester
CID 66563732

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate (CID 11219472) is tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate is CCC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate?
The InChIKey is MTXVQGPEQYEYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-12(16)18-10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(propanoyloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11219472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).