5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine

C25H27Cl3N4 — CID 59261510

IUPAC5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C25H27Cl3N4/c1-17(2)30-25-10-3-18(14-29-25)15-31-11-12-32(23-9-8-21(27)13-22(23)28)24(16-31)19-4-6-20(26)7-5-19/h3-10,13-14,17,24H,11-12,15-16H2,1-2H3,(H,29,30)/t24-/m0/s1
InChIKeyMADLUQUDCNPHLS-DEOSSOPVSA-N
MW489.88 g/mol
LogP6.93
Rot. Bonds6

About 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine

5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 59261510) has the molecular formula C25H27Cl3N4 and a molecular weight of 489.88 g/mol. Its IUPAC name is 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine
PubChem CID59261510
Molecular FormulaC25H27Cl3N4
Molecular Weight489.88 g/mol
Exact Mass488.13
IUPAC Name5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C25H27Cl3N4/c1-17(2)30-25-10-3-18(14-29-25)15-31-11-12-32(23-9-8-21(27)13-22(23)28)24(16-31)19-4-6-20(26)7-5-19/h3-10,13-14,17,24H,11-12,15-16H2,1-2H3,(H,29,30)/t24-/m0/s1
InChIKeyMADLUQUDCNPHLS-DEOSSOPVSA-N
XLogP6.93
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.88
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine (CID 59261510) is 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine is CC(C)Nc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is MADLUQUDCNPHLS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27Cl3N4/c1-17(2)30-25-10-3-18(14-29-25)15-31-11-12-32(23-9-8-21(27)13-22(23)28)24(16-31)19-4-6-20(26)7-5-19/h3-10,13-14,17,24H,11-12,15-16H2,1-2H3,(H,29,30)/t24-/m0/s1.
What are the key properties of 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 489.88 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 59261510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).