methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate

C23H27F2NO4 — CID 19874360

IUPACmethyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate
SMILESCOC(=O)COCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27F2NO4/c1-28-22(27)16-29-15-14-26-12-10-21(11-13-26)30-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,21,23H,10-16H2,1H3
InChIKeyGNRLOJIBDHQKNM-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.72
Rot. Bonds9

About methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate

methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate (PubChem CID 19874360) has the molecular formula C23H27F2NO4 and a molecular weight of 419.47 g/mol. Its IUPAC name is methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate
PubChem CID19874360
Molecular FormulaC23H27F2NO4
Molecular Weight419.47 g/mol
Exact Mass419.19
IUPAC Namemethyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate
SMILESCOC(=O)COCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27F2NO4/c1-28-22(27)16-29-15-14-26-12-10-21(11-13-26)30-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,21,23H,10-16H2,1H3
InChIKeyGNRLOJIBDHQKNM-UHFFFAOYSA-N
XLogP3.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate?
The IUPAC name of methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate (CID 19874360) is methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate is COC(=O)COCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate?
The InChIKey is GNRLOJIBDHQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO4/c1-28-22(27)16-29-15-14-26-12-10-21(11-13-26)30-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,21,23H,10-16H2,1H3.
What are the key properties of methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate?
methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate has a molecular weight of 419.47 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetate is sourced from PubChem (CID 19874360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).