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

C23H28FNO4 — CID 19874395

IUPACmethyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate
SMILESCOC(=O)COCCN1CCC(OC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FNO4/c1-27-22(26)17-28-16-15-25-13-11-21(12-14-25)29-23(18-5-3-2-4-6-18)19-7-9-20(24)10-8-19/h2-10,21,23H,11-17H2,1H3
InChIKeyGGSLBASTFRGAHE-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.59
Rot. Bonds9

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

methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate (PubChem CID 19874395) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate
PubChem CID19874395
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC Namemethyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate
SMILESCOC(=O)COCCN1CCC(OC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FNO4/c1-27-22(26)17-28-16-15-25-13-11-21(12-14-25)29-23(18-5-3-2-4-6-18)19-7-9-20(24)10-8-19/h2-10,21,23H,11-17H2,1H3
InChIKeyGGSLBASTFRGAHE-UHFFFAOYSA-N
XLogP3.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate?
The IUPAC name of methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate (CID 19874395) is methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate is COC(=O)COCCN1CCC(OC(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate?
The InChIKey is GGSLBASTFRGAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-27-22(26)17-28-16-15-25-13-11-21(12-14-25)29-23(18-5-3-2-4-6-18)19-7-9-20(24)10-8-19/h2-10,21,23H,11-17H2,1H3.
What are the key properties of methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate?
methyl 2-[2-[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate has a molecular weight of 401.48 g/mol, XLogP of 3.59, 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-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetate is sourced from PubChem (CID 19874395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).