2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid

C22H25F2NO4 — CID 19874249

IUPAC2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25F2NO4/c23-18-5-1-16(2-6-18)22(17-3-7-19(24)8-4-17)29-20-9-11-25(12-10-20)13-14-28-15-21(26)27/h1-8,20,22H,9-15H2,(H,26,27)
InChIKeyRCRKTBFGXOHFTA-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.64
Rot. Bonds9

About 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid

2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid (PubChem CID 19874249) has the molecular formula C22H25F2NO4 and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid
PubChem CID19874249
Molecular FormulaC22H25F2NO4
Molecular Weight405.44 g/mol
Exact Mass405.18
IUPAC Name2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25F2NO4/c23-18-5-1-16(2-6-18)22(17-3-7-19(24)8-4-17)29-20-9-11-25(12-10-20)13-14-28-15-21(26)27/h1-8,20,22H,9-15H2,(H,26,27)
InChIKeyRCRKTBFGXOHFTA-UHFFFAOYSA-N
XLogP3.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(2R)-2-methyl-3-phenylpropyl]piperidine;oxalic acid
CID 11584838
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-1-phenylpropan-1-ol;oxalic acid
CID 11620990
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-ol;oxalic acid
CID 11649732
(1R)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-1-phenylpropan-1-ol;oxalic acid
CID 11678446
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine;oxalic acid
CID 11713730
[2-[4-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]piperazino]ethoxy]acetic acid
CID 10230370
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine maleate
CID 25009462
2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-(3-phenylpropyl)-2,5-diazabicyclo[2.2.1]heptane;oxalic acid
CID 401876
2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-methyl-2,5-diazabicyclo[2.2.1]heptane;oxalic acid
CID 401878
3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid
CID 401885
1-Benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3959151
2-[2-[4-[(1S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylethyl]piperazin-1-yl]ethoxy]acetic acid
CID 10437488

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid (CID 19874249) is 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid is O=C(O)COCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid?
The InChIKey is RCRKTBFGXOHFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO4/c23-18-5-1-16(2-6-18)22(17-3-7-19(24)8-4-17)29-20-9-11-25(12-10-20)13-14-28-15-21(26)27/h1-8,20,22H,9-15H2,(H,26,27).
What are the key properties of 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid?
2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid has a molecular weight of 405.44 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 19874249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).