(2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine

C24H20Cl3F2N — CID 46229780

IUPAC(2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1F
InChIInChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1
InChIKeyQSJYEDBNXXEBDB-VOIUYBSRSA-N
MW466.79 g/mol
LogP8.13
Rot. Bonds4

About (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine

(2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine (PubChem CID 46229780) has the molecular formula C24H20Cl3F2N and a molecular weight of 466.79 g/mol. Its IUPAC name is (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name(2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine
PubChem CID46229780
Molecular FormulaC24H20Cl3F2N
Molecular Weight466.79 g/mol
Exact Mass465.06
IUPAC Name(2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1F
InChIInChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1
InChIKeyQSJYEDBNXXEBDB-VOIUYBSRSA-N
XLogP8.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.79
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
The IUPAC name of (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine (CID 46229780) is (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine.
What is the SMILES notation for (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
The canonical SMILES for (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine is Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1F.
What is the InChIKey of (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
The InChIKey is QSJYEDBNXXEBDB-VOIUYBSRSA-N. The full InChI is InChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1.
What are the key properties of (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
(2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine has a molecular weight of 466.79 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 46229780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).