diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate

C14H25NO4 — CID 7060845

IUPACdiethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate
SMILESCCOC(=O)C[C@H](C(=O)OCC)N1CCC(C)CC1
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)10-12(14(17)19-5-2)15-8-6-11(3)7-9-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyZNKDVRSPIWKTTC-GFCCVEGCSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds6

About diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate

diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate (PubChem CID 7060845) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate.

Molecular Properties

Compound Namediethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate
PubChem CID7060845
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namediethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate
SMILESCCOC(=O)C[C@H](C(=O)OCC)N1CCC(C)CC1
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)10-12(14(17)19-5-2)15-8-6-11(3)7-9-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyZNKDVRSPIWKTTC-GFCCVEGCSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate?
The IUPAC name of diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate (CID 7060845) is diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate.
What is the SMILES notation for diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate?
The canonical SMILES for diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate is CCOC(=O)C[C@H](C(=O)OCC)N1CCC(C)CC1.
What is the InChIKey of diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate?
The InChIKey is ZNKDVRSPIWKTTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-18-13(16)10-12(14(17)19-5-2)15-8-6-11(3)7-9-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate?
diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-(4-methylpiperidin-1-yl)butanedioate is sourced from PubChem (CID 7060845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).