1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride

C20H31Cl4N3O — CID 141198642

About 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride

1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride (PubChem CID 141198642) has the molecular formula C20H31Cl4N3O and a molecular weight of 471.30 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
• PubChem CID: 141198642
• Molecular Formula: C20H31Cl4N3O
• Molecular Weight: 471.30 g/mol
• Exact Mass: 469.12
• IUPAC Name: 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
• SMILES: CC(=O)CN1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.Cl.Cl
• InChI: InChI=1S/C20H29Cl2N3O.2ClH/c1-16(26)15-24-9-6-17(7-10-24)5-8-23-11-13-25(14-12-23)19-4-2-3-18(21)20(19)22;;/h2-4,17H,5-15H2,1H3;2*1H
• InChIKey: HOHYLFTYIOGJGQ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 26.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.30
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride?

The IUPAC name of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride (CID 141198642) is 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride.

What is the SMILES notation for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride?

The canonical SMILES for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride is CC(=O)CN1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.Cl.Cl.

What is the InChIKey of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride?

The InChIKey is HOHYLFTYIOGJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N3O.2ClH/c1-16(26)15-24-9-6-17(7-10-24)5-8-23-11-13-25(14-12-23)19-4-2-3-18(21)20(19)22;;/h2-4,17H,5-15H2,1H3;2*1H.

What are the key properties of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride?

1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride has a molecular weight of 471.30 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride is sourced from PubChem (CID 141198642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).