1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone

C30H34FNO3 — CID 14407149

IUPAC1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H34FNO3/c1-22(33)26-11-14-28(29(21-26)34-2)35-20-6-17-32-18-15-25(16-19-32)30(23-7-4-3-5-8-23)24-9-12-27(31)13-10-24/h3-5,7-14,21,25,30H,6,15-20H2,1-2H3
InChIKeyRGPVIYPWZPOWLD-UHFFFAOYSA-N
MW475.60 g/mol
LogP6.35
Rot. Bonds10

About 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone

1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone (PubChem CID 14407149) has the molecular formula C30H34FNO3 and a molecular weight of 475.60 g/mol. Its IUPAC name is 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
PubChem CID14407149
Molecular FormulaC30H34FNO3
Molecular Weight475.60 g/mol
Exact Mass475.25
IUPAC Name1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H34FNO3/c1-22(33)26-11-14-28(29(21-26)34-2)35-20-6-17-32-18-15-25(16-19-32)30(23-7-4-3-5-8-23)24-9-12-27(31)13-10-24/h3-5,7-14,21,25,30H,6,15-20H2,1-2H3
InChIKeyRGPVIYPWZPOWLD-UHFFFAOYSA-N
XLogP6.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone (CID 14407149) is 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
The InChIKey is RGPVIYPWZPOWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FNO3/c1-22(33)26-11-14-28(29(21-26)34-2)35-20-6-17-32-18-15-25(16-19-32)30(23-7-4-3-5-8-23)24-9-12-27(31)13-10-24/h3-5,7-14,21,25,30H,6,15-20H2,1-2H3.
What are the key properties of 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone?
1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone has a molecular weight of 475.60 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-[(4-fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 14407149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).