dimethyl 6-propylpiperidine-1,2-dicarboxylate

C12H21NO4 — CID 71338696

IUPACdimethyl 6-propylpiperidine-1,2-dicarboxylate
SMILESCCCC1CCCC(C(=O)OC)N1C(=O)OC
InChIInChI=1S/C12H21NO4/c1-4-6-9-7-5-8-10(11(14)16-2)13(9)12(15)17-3/h9-10H,4-8H2,1-3H3
InChIKeyIEJFLESCBIJUMG-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.95
Rot. Bonds3

About dimethyl 6-propylpiperidine-1,2-dicarboxylate

dimethyl 6-propylpiperidine-1,2-dicarboxylate (PubChem CID 71338696) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is dimethyl 6-propylpiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-propylpiperidine-1,2-dicarboxylate
PubChem CID71338696
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namedimethyl 6-propylpiperidine-1,2-dicarboxylate
SMILESCCCC1CCCC(C(=O)OC)N1C(=O)OC
InChIInChI=1S/C12H21NO4/c1-4-6-9-7-5-8-10(11(14)16-2)13(9)12(15)17-3/h9-10H,4-8H2,1-3H3
InChIKeyIEJFLESCBIJUMG-UHFFFAOYSA-N
XLogP1.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
CID 10727314
(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
CID 150419156
methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
CID 101061873
1-O-tert-butyl 2-O-methyl (2S,6R)-6-prop-2-enylpiperidine-1,2-dicarboxylate
CID 67092681
methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate
CID 22955198
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
1-O-tert-butyl 2-O-methyl 5-(3,3-difluoropropyl)pyrrolidine-1,2-dicarboxylate
CID 174321735
methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate
CID 10422764

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-propylpiperidine-1,2-dicarboxylate?
The IUPAC name of dimethyl 6-propylpiperidine-1,2-dicarboxylate (CID 71338696) is dimethyl 6-propylpiperidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 6-propylpiperidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl 6-propylpiperidine-1,2-dicarboxylate is CCCC1CCCC(C(=O)OC)N1C(=O)OC.
What is the InChIKey of dimethyl 6-propylpiperidine-1,2-dicarboxylate?
The InChIKey is IEJFLESCBIJUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-6-9-7-5-8-10(11(14)16-2)13(9)12(15)17-3/h9-10H,4-8H2,1-3H3.
What are the key properties of dimethyl 6-propylpiperidine-1,2-dicarboxylate?
dimethyl 6-propylpiperidine-1,2-dicarboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-propylpiperidine-1,2-dicarboxylate is sourced from PubChem (CID 71338696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).