2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate

C13H26N2O2 — CID 515605

IUPAC2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate
SMILESCCN(CC)CCOC(=O)C1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)10-11-17-13(16)12-6-8-14(3)9-7-12/h12H,4-11H2,1-3H3
InChIKeyGHAWCAUSPWTQNX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds6

About 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate

2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate (PubChem CID 515605) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate
PubChem CID515605
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate
SMILESCCN(CC)CCOC(=O)C1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)10-11-17-13(16)12-6-8-14(3)9-7-12/h12H,4-11H2,1-3H3
InChIKeyGHAWCAUSPWTQNX-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)ethyl 1-methylpiperidine-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 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate (CID 515605) is 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate is CCN(CC)CCOC(=O)C1CCN(C)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate?
The InChIKey is GHAWCAUSPWTQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(5-2)10-11-17-13(16)12-6-8-14(3)9-7-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate?
2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 515605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).