4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine

C30H34FNO2 — CID 12804780

IUPAC4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
SMILESFc1ccc(C2(CCCN3CCC(c4ccccc4Cc4ccccc4)CC3)OCCO2)cc1
InChIInChI=1S/C30H34FNO2/c31-28-13-11-27(12-14-28)30(33-21-22-34-30)17-6-18-32-19-15-25(16-20-32)29-10-5-4-9-26(29)23-24-7-2-1-3-8-24/h1-5,7-14,25H,6,15-23H2
InChIKeyBVWLVFLVXQWVOU-UHFFFAOYSA-N
MW459.61 g/mol
LogP6.28
Rot. Bonds8

About 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine

4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine (PubChem CID 12804780) has the molecular formula C30H34FNO2 and a molecular weight of 459.61 g/mol. Its IUPAC name is 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine.

Molecular Properties

Compound Name4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
PubChem CID12804780
Molecular FormulaC30H34FNO2
Molecular Weight459.61 g/mol
Exact Mass459.26
IUPAC Name4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
SMILESFc1ccc(C2(CCCN3CCC(c4ccccc4Cc4ccccc4)CC3)OCCO2)cc1
InChIInChI=1S/C30H34FNO2/c31-28-13-11-27(12-14-28)30(33-21-22-34-30)17-6-18-32-19-15-25(16-20-32)29-10-5-4-9-26(29)23-24-7-2-1-3-8-24/h1-5,7-14,25H,6,15-23H2
InChIKeyBVWLVFLVXQWVOU-UHFFFAOYSA-N
XLogP6.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.61
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
The IUPAC name of 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine (CID 12804780) is 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine.
What is the SMILES notation for 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
The canonical SMILES for 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine is Fc1ccc(C2(CCCN3CCC(c4ccccc4Cc4ccccc4)CC3)OCCO2)cc1.
What is the InChIKey of 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
The InChIKey is BVWLVFLVXQWVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FNO2/c31-28-13-11-27(12-14-28)30(33-21-22-34-30)17-6-18-32-19-15-25(16-20-32)29-10-5-4-9-26(29)23-24-7-2-1-3-8-24/h1-5,7-14,25H,6,15-23H2.
What are the key properties of 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine has a molecular weight of 459.61 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine is sourced from PubChem (CID 12804780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).