2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride

C13H28Cl2N2O2 — CID 3053855

IUPAC2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride
SMILESCCN(CC)CCOC(=O)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H26N2O2.2ClH/c1-3-14(4-2)10-11-17-13(16)12-15-8-6-5-7-9-15;;/h3-12H2,1-2H3;2*1H
InChIKeyAFBNXHIDKKNMQJ-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.20
Rot. Bonds7

About 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride

2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride (PubChem CID 3053855) has the molecular formula C13H28Cl2N2O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride
PubChem CID3053855
Molecular FormulaC13H28Cl2N2O2
Molecular Weight315.29 g/mol
Exact Mass314.15
IUPAC Name2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride
SMILESCCN(CC)CCOC(=O)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H26N2O2.2ClH/c1-3-14(4-2)10-11-17-13(16)12-15-8-6-5-7-9-15;;/h3-12H2,1-2H3;2*1H
InChIKeyAFBNXHIDKKNMQJ-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride 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 2-piperidin-1-ylacetate;dihydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride (CID 3053855) is 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride is CCN(CC)CCOC(=O)CN1CCCCC1.Cl.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride?
The InChIKey is AFBNXHIDKKNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.2ClH/c1-3-14(4-2)10-11-17-13(16)12-15-8-6-5-7-9-15;;/h3-12H2,1-2H3;2*1H.
What are the key properties of 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride?
2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride has a molecular weight of 315.29 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-piperidin-1-ylacetate;dihydrochloride is sourced from PubChem (CID 3053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).