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

C24H30Cl3N3 — CID 24863080

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
SMILESCN1CCCC1CCNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=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
InChIKeyJGUMAYOCQMVFKC-UHFFFAOYSA-N
MW466.88 g/mol
LogP6.43
Rot. Bonds6

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 Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
PubChem CID24863080
Molecular FormulaC24H30Cl3N3
Molecular Weight466.88 g/mol
Exact Mass465.15
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
SMILESCN1CCCC1CCNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=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
InChIKeyJGUMAYOCQMVFKC-UHFFFAOYSA-N
XLogP6.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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