3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride

C17H25ClN2O2 — CID 67108178

IUPAC3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride
SMILESCCN(CC)CCC1(c2ccccc2)CCC(=O)NC1=O.[Cl-].[H+]
InChIInChI=1S/C17H24N2O2.ClH/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21;/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21);1H
InChIKeySYSHPMOZZLONAK-UHFFFAOYSA-N
MW324.85 g/mol
LogP-0.79
Rot. Bonds6

About 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride

3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride (PubChem CID 67108178) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride
PubChem CID67108178
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride
SMILESCCN(CC)CCC1(c2ccccc2)CCC(=O)NC1=O.[Cl-].[H+]
InChIInChI=1S/C17H24N2O2.ClH/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21;/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21);1H
InChIKeySYSHPMOZZLONAK-UHFFFAOYSA-N
XLogP-0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride?
The IUPAC name of 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride (CID 67108178) is 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride is CCN(CC)CCC1(c2ccccc2)CCC(=O)NC1=O.[Cl-].[H+].
What is the InChIKey of 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride?
The InChIKey is SYSHPMOZZLONAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21;/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21);1H.
What are the key properties of 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride?
3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride has a molecular weight of 324.85 g/mol, XLogP of -0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride is sourced from PubChem (CID 67108178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).