diethyl 1-methylpiperidine-4,4-dicarboxylate

C12H21NO4 — CID 121001338

IUPACdiethyl 1-methylpiperidine-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCN(C)CC1
InChIInChI=1S/C12H21NO4/c1-4-16-10(14)12(11(15)17-5-2)6-8-13(3)9-7-12/h4-9H2,1-3H3
InChIKeyDKRYUZKLTZSETP-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds4

About diethyl 1-methylpiperidine-4,4-dicarboxylate

diethyl 1-methylpiperidine-4,4-dicarboxylate (PubChem CID 121001338) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is diethyl 1-methylpiperidine-4,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-methylpiperidine-4,4-dicarboxylate
PubChem CID121001338
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namediethyl 1-methylpiperidine-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCN(C)CC1
InChIInChI=1S/C12H21NO4/c1-4-16-10(14)12(11(15)17-5-2)6-8-13(3)9-7-12/h4-9H2,1-3H3
InChIKeyDKRYUZKLTZSETP-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 1-chlorosulfonylpiperidine-4,4-dicarboxylate
CID 86000209
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
CID 141202232
ethyl 1-methyl-4-piperazin-1-ylpiperidine-4-carboxylate
CID 54895081
1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate
CID 151131649
ethyl 4-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 118534908
4-ethoxycarbonyl-1-[hydroxy(methyl)boranyl]piperidine-4-carboxylic acid
CID 59509497
ethyl 1-carbamothioylcyclopropane-1-carboxylate
CID 155971303
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 15814402
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253
ethyl 1-carbonochloridoylcyclobutane-1-carboxylate
CID 19096810

Frequently Asked Questions

What is the IUPAC name of diethyl 1-methylpiperidine-4,4-dicarboxylate?
The IUPAC name of diethyl 1-methylpiperidine-4,4-dicarboxylate (CID 121001338) is diethyl 1-methylpiperidine-4,4-dicarboxylate.
What is the SMILES notation for diethyl 1-methylpiperidine-4,4-dicarboxylate?
The canonical SMILES for diethyl 1-methylpiperidine-4,4-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCN(C)CC1.
What is the InChIKey of diethyl 1-methylpiperidine-4,4-dicarboxylate?
The InChIKey is DKRYUZKLTZSETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-16-10(14)12(11(15)17-5-2)6-8-13(3)9-7-12/h4-9H2,1-3H3.
What are the key properties of diethyl 1-methylpiperidine-4,4-dicarboxylate?
diethyl 1-methylpiperidine-4,4-dicarboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-methylpiperidine-4,4-dicarboxylate is sourced from PubChem (CID 121001338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).