4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid

C23H25F2NO5 — CID 67831676

IUPAC4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid
SMILESCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)C=CC(=O)O
InChIInChI=1S/C19H21F2NO.C4H4O4/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15;5-3(6)1-2-4(7)8/h2-9,18-19H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyRMDQLYLUDBPMAC-UHFFFAOYSA-N
MW433.45 g/mol
LogP3.88
Rot. Bonds6

About 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid

4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid (PubChem CID 67831676) has the molecular formula C23H25F2NO5 and a molecular weight of 433.45 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid
PubChem CID67831676
Molecular FormulaC23H25F2NO5
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid
SMILESCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)C=CC(=O)O
InChIInChI=1S/C19H21F2NO.C4H4O4/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15;5-3(6)1-2-4(7)8/h2-9,18-19H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyRMDQLYLUDBPMAC-UHFFFAOYSA-N
XLogP3.88
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;(E)-but-2-enedioic acid
CID 19874421
3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
CID 67831048
methyl 6-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]hexanoate;hydrochloride
CID 67903111
4-[(4-tert-butylphenyl)-phenylmethoxy]-1-methylpiperidine
CID 19874379
but-2-enedioic acid;7-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 67903102
but-2-enedioic acid;6-[4-[(4-tert-butylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoic acid
CID 67903218
(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 24978533
3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 10316907
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;but-2-enedioic acid
CID 70573507
(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
CID 5112796
ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 142061545
bis[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl] (E)-but-2-enedioate
CID 67831085

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid?
The IUPAC name of 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid (CID 67831676) is 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid?
The canonical SMILES for 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid is CN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)C=CC(=O)O.
What is the InChIKey of 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid?
The InChIKey is RMDQLYLUDBPMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO.C4H4O4/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15;5-3(6)1-2-4(7)8/h2-9,18-19H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid?
4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid has a molecular weight of 433.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid is sourced from PubChem (CID 67831676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).