1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine

C26H27F2NO — CID 10573451

IUPAC1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine
SMILESFc1ccc(C(OCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H27F2NO/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)30-19-21-14-16-29(17-15-21)18-20-4-2-1-3-5-20/h1-13,21,26H,14-19H2
InChIKeyYVIKPHPWAZNXCC-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.98
Rot. Bonds7

About 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine

1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine (PubChem CID 10573451) has the molecular formula C26H27F2NO and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine
PubChem CID10573451
Molecular FormulaC26H27F2NO
Molecular Weight407.50 g/mol
Exact Mass407.21
IUPAC Name1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine
SMILESFc1ccc(C(OCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H27F2NO/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)30-19-21-14-16-29(17-15-21)18-20-4-2-1-3-5-20/h1-13,21,26H,14-19H2
InChIKeyYVIKPHPWAZNXCC-UHFFFAOYSA-N
XLogP5.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine?
The IUPAC name of 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine (CID 10573451) is 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine?
The canonical SMILES for 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine is Fc1ccc(C(OCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine?
The InChIKey is YVIKPHPWAZNXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2NO/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)30-19-21-14-16-29(17-15-21)18-20-4-2-1-3-5-20/h1-13,21,26H,14-19H2.
What are the key properties of 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine?
1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine has a molecular weight of 407.50 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[bis(4-fluorophenyl)methoxymethyl]piperidine is sourced from PubChem (CID 10573451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).