1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate

C17H32N2O4 — CID 67036842

IUPAC1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CCN(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O4/c1-7-22-14(20)17(8-11-18(5)6)9-12-19(13-10-17)15(21)23-16(2,3)4/h7-13H2,1-6H3
InChIKeyWNKSDRGGKAUAOP-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.52
Rot. Bonds5

About 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate (PubChem CID 67036842) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate
PubChem CID67036842
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CCN(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O4/c1-7-22-14(20)17(8-11-18(5)6)9-12-19(13-10-17)15(21)23-16(2,3)4/h7-13H2,1-6H3
InChIKeyWNKSDRGGKAUAOP-UHFFFAOYSA-N
XLogP2.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate (CID 67036842) is 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate is CCOC(=O)C1(CCN(C)C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate?
The InChIKey is WNKSDRGGKAUAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-7-22-14(20)17(8-11-18(5)6)9-12-19(13-10-17)15(21)23-16(2,3)4/h7-13H2,1-6H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate has a molecular weight of 328.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl 4-[2-(dimethylamino)ethyl]piperidine-1,4-dicarboxylate is sourced from PubChem (CID 67036842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).