ethyl 1-(diethoxymethyl)piperidine-4-carboxylate

C13H25NO4 — CID 154700668

IUPACethyl 1-(diethoxymethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(OCC)OCC)CC1
InChIInChI=1S/C13H25NO4/c1-4-16-12(15)11-7-9-14(10-8-11)13(17-5-2)18-6-3/h11,13H,4-10H2,1-3H3
InChIKeyZRYFUULIJGNARJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds7

About ethyl 1-(diethoxymethyl)piperidine-4-carboxylate

ethyl 1-(diethoxymethyl)piperidine-4-carboxylate (PubChem CID 154700668) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 1-(diethoxymethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(diethoxymethyl)piperidine-4-carboxylate
PubChem CID154700668
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 1-(diethoxymethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(OCC)OCC)CC1
InChIInChI=1S/C13H25NO4/c1-4-16-12(15)11-7-9-14(10-8-11)13(17-5-2)18-6-3/h11,13H,4-10H2,1-3H3
InChIKeyZRYFUULIJGNARJ-UHFFFAOYSA-N
XLogP1.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Isonipecotic acid, N-isobutoxycarbonyl-, ethyl ester
CID 21470003
1,4-Diethyl piperidine-1,4-dicarboxylate
CID 23084679
Isonipecotic acid, n-butoxycarbonyl-, ethyl ester
CID 68328252
Isonipecotic acid, n-butoxycarbonyl-, butyl ester
CID 68735722
Isonipecotic acid, N-ethoxycarbonyl-, butyl ester
CID 91728455
N-Methylpethidine
CID 6452722
Ethyl 1-butylpiperidine-4-carboxylate
CID 9990801
Ethyl 1-propyl-piperidine-4-carboxylate
CID 21202791

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(diethoxymethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(diethoxymethyl)piperidine-4-carboxylate (CID 154700668) is ethyl 1-(diethoxymethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(diethoxymethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(diethoxymethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(OCC)OCC)CC1.
What is the InChIKey of ethyl 1-(diethoxymethyl)piperidine-4-carboxylate?
The InChIKey is ZRYFUULIJGNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-16-12(15)11-7-9-14(10-8-11)13(17-5-2)18-6-3/h11,13H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(diethoxymethyl)piperidine-4-carboxylate?
ethyl 1-(diethoxymethyl)piperidine-4-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(diethoxymethyl)piperidine-4-carboxylate is sourced from PubChem (CID 154700668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).