1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate

C15H27NO4 — CID 59679477

IUPAC1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
SMILESCCCC1CCCC(C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-6-8-11-9-7-10-12(13(17)19-5)16(11)14(18)20-15(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyPFFJVUSBPZQDAO-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.12
Rot. Bonds3

About 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate (PubChem CID 59679477) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
PubChem CID59679477
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
SMILESCCCC1CCCC(C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-6-8-11-9-7-10-12(13(17)19-5)16(11)14(18)20-15(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyPFFJVUSBPZQDAO-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
1-O-tert-butyl 2-O-methyl (2S,6R)-6-prop-2-enylpiperidine-1,2-dicarboxylate
CID 67092681
1-O-tert-butyl 2-O-methyl 5-(3,3-difluoropropyl)pyrrolidine-1,2-dicarboxylate
CID 174321735
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
1-O-tert-butyl 2-O-methyl 5-(3-oxopropyl)pyrrolidine-1,2-dicarboxylate
CID 143043249
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850
ditert-butyl (2S,5S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 91484630
(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
CID 150419156
1-O-tert-butyl 2-O-methyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate;ethane
CID 90775482
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
1-O-tert-butyl 2-O-methyl (2S,5S)-5-formylpyrrolidine-1,2-dicarboxylate
CID 10445185

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate (CID 59679477) is 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate is CCCC1CCCC(C(=O)OC)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate?
The InChIKey is PFFJVUSBPZQDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-8-11-9-7-10-12(13(17)19-5)16(11)14(18)20-15(2,3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate is sourced from PubChem (CID 59679477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).