methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate

C24H27F2NO3 — CID 54369458

IUPACmethyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate
SMILESCOC(=O)C=CC1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F2NO3/c1-29-23(28)11-2-18-12-14-27(15-13-18)16-17-30-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20/h2-11,18,24H,12-17H2,1H3
InChIKeyUSCSUWRNWCTFEP-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.51
Rot. Bonds8

About methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate

methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate (PubChem CID 54369458) has the molecular formula C24H27F2NO3 and a molecular weight of 415.48 g/mol. Its IUPAC name is methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate
PubChem CID54369458
Molecular FormulaC24H27F2NO3
Molecular Weight415.48 g/mol
Exact Mass415.20
IUPAC Namemethyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate
SMILESCOC(=O)C=CC1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F2NO3/c1-29-23(28)11-2-18-12-14-27(15-13-18)16-17-30-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20/h2-11,18,24H,12-17H2,1H3
InChIKeyUSCSUWRNWCTFEP-UHFFFAOYSA-N
XLogP4.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
ethyl 2-[[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]methyl]pentanoate
CID 67750275
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
ethyl 2-[[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]methylidene]pent-4-ynoate
CID 54402672
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;but-2-enedioic acid
CID 70573507
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 23371543
ethyl 8-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]octa-2,4-dienoate
CID 54062144
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
8-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]octanoic acid
CID 67750378
(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
CID 12634883
(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 10719928

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate?
The IUPAC name of methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate (CID 54369458) is methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate is COC(=O)C=CC1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate?
The InChIKey is USCSUWRNWCTFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2NO3/c1-29-23(28)11-2-18-12-14-27(15-13-18)16-17-30-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20/h2-11,18,24H,12-17H2,1H3.
What are the key properties of methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate?
methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate has a molecular weight of 415.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate is sourced from PubChem (CID 54369458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).