2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine

C24H30Cl3N3 — CID 24863080

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine (PubChem CID 24863080) has the molecular formula C24H30Cl3N3 and a molecular weight of 466.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
• PubChem CID: 24863080
• Molecular Formula: C24H30Cl3N3
• Molecular Weight: 466.88 g/mol
• Exact Mass: 465.15
• IUPAC Name: 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
• SMILES: CN1CCCC1CCNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C24H30Cl3N3/c1-29-13-2-3-21(29)10-12-28-20-11-14-30(23-9-8-19(26)15-22(23)27)24(16-20)17-4-6-18(25)7-5-17/h4-9,15,20-21,24,28H,2-3,10-14,16H2,1H3
• InChIKey: JGUMAYOCQMVFKC-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.88
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine?

The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine (CID 24863080) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine.

What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine?

The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine is CN1CCCC1CCNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.

What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine?

The InChIKey is JGUMAYOCQMVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl3N3/c1-29-13-2-3-21(29)10-12-28-20-11-14-30(23-9-8-19(26)15-22(23)27)24(16-20)17-4-6-18(25)7-5-17/h4-9,15,20-21,24,28H,2-3,10-14,16H2,1H3.

What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine?

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine has a molecular weight of 466.88 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 24863080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).