2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride

C17H23Cl2N3O3 — CID 171820884

IUPAC2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
SMILESCl.Cl.O=CCN1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C17H21N3O3.2ClH/c21-12-11-19-7-9-20(10-8-19)14-3-1-13(2-4-14)15-5-6-16(22)18-17(15)23;;/h1-4,12,15H,5-11H2,(H,18,22,23);2*1H
InChIKeyHALRFKHGLMUPQT-UHFFFAOYSA-N
MW388.30 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride

2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride (PubChem CID 171820884) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride.

Molecular Properties

Compound Name2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
PubChem CID171820884
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Name2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
SMILESCl.Cl.O=CCN1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C17H21N3O3.2ClH/c21-12-11-19-7-9-20(10-8-19)14-3-1-13(2-4-14)15-5-6-16(22)18-17(15)23;;/h1-4,12,15H,5-11H2,(H,18,22,23);2*1H
InChIKeyHALRFKHGLMUPQT-UHFFFAOYSA-N
XLogP1.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride?
The IUPAC name of 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride (CID 171820884) is 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride.
What is the SMILES notation for 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride?
The canonical SMILES for 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride is Cl.Cl.O=CCN1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride?
The InChIKey is HALRFKHGLMUPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.2ClH/c21-12-11-19-7-9-20(10-8-19)14-3-1-13(2-4-14)15-5-6-16(22)18-17(15)23;;/h1-4,12,15H,5-11H2,(H,18,22,23);2*1H.
What are the key properties of 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride?
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride is sourced from PubChem (CID 171820884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).