1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid

C21H23F2NO3 — CID 139851809

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO3/c22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)27-14-13-24-11-9-17(10-12-24)21(25)26/h1-8,17,20H,9-14H2,(H,25,26)
InChIKeyZOHHTUPUNPHSDE-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.87
Rot. Bonds7

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid (PubChem CID 139851809) has the molecular formula C21H23F2NO3 and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
PubChem CID139851809
Molecular FormulaC21H23F2NO3
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO3/c22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)27-14-13-24-11-9-17(10-12-24)21(25)26/h1-8,17,20H,9-14H2,(H,25,26)
InChIKeyZOHHTUPUNPHSDE-UHFFFAOYSA-N
XLogP3.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
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
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
methyl 3-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]prop-2-enoate
CID 54369458
ethyl 2-[[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]methyl]pentanoate
CID 67750275
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
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
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid (CID 139851809) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid?
The InChIKey is ZOHHTUPUNPHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO3/c22-18-5-1-15(2-6-18)20(16-3-7-19(23)8-4-16)27-14-13-24-11-9-17(10-12-24)21(25)26/h1-8,17,20H,9-14H2,(H,25,26).
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid has a molecular weight of 375.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 139851809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).