ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate

C15H28N2O2 — CID 784282

IUPACethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCN(CC)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-16-9-7-14(8-10-16)17-11-5-13(6-12-17)15(18)19-4-2/h13-14H,3-12H2,1-2H3
InChIKeyNJZXHMXKZPLVHU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds4

About ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate

ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate (PubChem CID 784282) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate
PubChem CID784282
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCN(CC)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-16-9-7-14(8-10-16)17-11-5-13(6-12-17)15(18)19-4-2/h13-14H,3-12H2,1-2H3
InChIKeyNJZXHMXKZPLVHU-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate 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 ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate (CID 784282) is ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCN(CC)CC2)CC1.
What is the InChIKey of ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate?
The InChIKey is NJZXHMXKZPLVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-16-9-7-14(8-10-16)17-11-5-13(6-12-17)15(18)19-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethylpiperidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 784282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).