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

C24H21Cl2F2N — CID 46229734

IUPAC(2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F
InChIInChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24-/m1/s1
InChIKeyDZOXGRZPPMWLSR-MZNJEOGPSA-N
MW432.34 g/mol
LogP7.47
Rot. Bonds4

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

(2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine (PubChem CID 46229734) has the molecular formula C24H21Cl2F2N and a molecular weight of 432.34 g/mol. Its IUPAC name is (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name(2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine
PubChem CID46229734
Molecular FormulaC24H21Cl2F2N
Molecular Weight432.34 g/mol
Exact Mass431.10
IUPAC Name(2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F
InChIInChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24-/m1/s1
InChIKeyDZOXGRZPPMWLSR-MZNJEOGPSA-N
XLogP7.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.34
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
The IUPAC name of (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine (CID 46229734) is (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine.
What is the SMILES notation for (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
The canonical SMILES for (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine is Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F.
What is the InChIKey of (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
The InChIKey is DZOXGRZPPMWLSR-MZNJEOGPSA-N. The full InChI is InChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24-/m1/s1.
What are the key properties of (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine?
(2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine has a molecular weight of 432.34 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1,2-bis(4-chlorophenyl)-5-[(3,4-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 46229734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).