1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine

C29H28FNO — CID 22128572

IUPAC1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine
SMILESFc1cccc(C2CCN(Cc3ccccc3)CC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C29H28FNO/c30-27-12-6-11-26(18-27)28-15-16-31(19-22-7-2-1-3-8-22)20-29(28)32-21-23-13-14-24-9-4-5-10-25(24)17-23/h1-14,17-18,28-29H,15-16,19-21H2
InChIKeyHEAFPNVIENTYOP-UHFFFAOYSA-N
MW425.55 g/mol
LogP6.55
Rot. Bonds6

About 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine

1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine (PubChem CID 22128572) has the molecular formula C29H28FNO and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine
PubChem CID22128572
Molecular FormulaC29H28FNO
Molecular Weight425.55 g/mol
Exact Mass425.22
IUPAC Name1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine
SMILESFc1cccc(C2CCN(Cc3ccccc3)CC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C29H28FNO/c30-27-12-6-11-26(18-27)28-15-16-31(19-22-7-2-1-3-8-22)20-29(28)32-21-23-13-14-24-9-4-5-10-25(24)17-23/h1-14,17-18,28-29H,15-16,19-21H2
InChIKeyHEAFPNVIENTYOP-UHFFFAOYSA-N
XLogP6.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The IUPAC name of 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine (CID 22128572) is 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The canonical SMILES for 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine is Fc1cccc(C2CCN(Cc3ccccc3)CC2OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The InChIKey is HEAFPNVIENTYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO/c30-27-12-6-11-26(18-27)28-15-16-31(19-22-7-2-1-3-8-22)20-29(28)32-21-23-13-14-24-9-4-5-10-25(24)17-23/h1-14,17-18,28-29H,15-16,19-21H2.
What are the key properties of 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine has a molecular weight of 425.55 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine is sourced from PubChem (CID 22128572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).