2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine

C24H22Cl3FN2 — CID 24862762

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1ccc(CNC2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C24H22Cl3FN2/c25-18-5-3-17(4-6-18)24-14-21(29-15-16-1-8-20(28)9-2-16)11-12-30(24)23-10-7-19(26)13-22(23)27/h1-10,13,21,24,29H,11-12,14-15H2
InChIKeyUWTDWZSKCGIWLT-UHFFFAOYSA-N
MW463.81 g/mol
LogP7.29
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 24862762) has the molecular formula C24H22Cl3FN2 and a molecular weight of 463.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine
PubChem CID24862762
Molecular FormulaC24H22Cl3FN2
Molecular Weight463.81 g/mol
Exact Mass462.08
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1ccc(CNC2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C24H22Cl3FN2/c25-18-5-3-17(4-6-18)24-14-21(29-15-16-1-8-20(28)9-2-16)11-12-30(24)23-10-7-19(26)13-22(23)27/h1-10,13,21,24,29H,11-12,14-15H2
InChIKeyUWTDWZSKCGIWLT-UHFFFAOYSA-N
XLogP7.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.81
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine (CID 24862762) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine is Fc1ccc(CNC2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is UWTDWZSKCGIWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3FN2/c25-18-5-3-17(4-6-18)24-14-21(29-15-16-1-8-20(28)9-2-16)11-12-30(24)23-10-7-19(26)13-22(23)27/h1-10,13,21,24,29H,11-12,14-15H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 463.81 g/mol, XLogP of 7.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 24862762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).