1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine

C39H40FNO2 — CID 22128736

IUPAC1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine
SMILESCCCC1CN(Cc2ccccc2)CC(OCc2cc(OCc3ccccc3)c3ccccc3c2)C1c1ccc(F)cc1
InChIInChI=1S/C39H40FNO2/c1-2-11-34-25-41(24-29-12-5-3-6-13-29)26-38(39(34)32-18-20-35(40)21-19-32)43-28-31-22-33-16-9-10-17-36(33)37(23-31)42-27-30-14-7-4-8-15-30/h3-10,12-23,34,38-39H,2,11,24-28H2,1H3
InChIKeyJORMAXWLHZCAGH-UHFFFAOYSA-N
MW573.75 g/mol
LogP9.16
Rot. Bonds11

About 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine

1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine (PubChem CID 22128736) has the molecular formula C39H40FNO2 and a molecular weight of 573.75 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine
PubChem CID22128736
Molecular FormulaC39H40FNO2
Molecular Weight573.75 g/mol
Exact Mass573.30
IUPAC Name1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine
SMILESCCCC1CN(Cc2ccccc2)CC(OCc2cc(OCc3ccccc3)c3ccccc3c2)C1c1ccc(F)cc1
InChIInChI=1S/C39H40FNO2/c1-2-11-34-25-41(24-29-12-5-3-6-13-29)26-38(39(34)32-18-20-35(40)21-19-32)43-28-31-22-33-16-9-10-17-36(33)37(23-31)42-27-30-14-7-4-8-15-30/h3-10,12-23,34,38-39H,2,11,24-28H2,1H3
InChIKeyJORMAXWLHZCAGH-UHFFFAOYSA-N
XLogP9.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.75
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine (CID 22128736) is 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine is CCCC1CN(Cc2ccccc2)CC(OCc2cc(OCc3ccccc3)c3ccccc3c2)C1c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine?
The InChIKey is JORMAXWLHZCAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40FNO2/c1-2-11-34-25-41(24-29-12-5-3-6-13-29)26-38(39(34)32-18-20-35(40)21-19-32)43-28-31-22-33-16-9-10-17-36(33)37(23-31)42-27-30-14-7-4-8-15-30/h3-10,12-23,34,38-39H,2,11,24-28H2,1H3.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine?
1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine has a molecular weight of 573.75 g/mol, XLogP of 9.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]-5-propylpiperidine is sourced from PubChem (CID 22128736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).