2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid

C22H24ClF4NO4 — CID 25057052

IUPAC2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(COc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFNO2.C2HF3O2/c21-17-3-7-19(8-4-17)25-14-20(24)16-9-11-23(12-10-16)13-15-1-5-18(22)6-2-15;3-2(4,5)1(6)7/h1-8,16,20,24H,9-14H2;(H,6,7)
InChIKeyZSTQAPCDKVMBPO-UHFFFAOYSA-N
MW477.88 g/mol
LogP4.76
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid

2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 25057052) has the molecular formula C22H24ClF4NO4 and a molecular weight of 477.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid
PubChem CID25057052
Molecular FormulaC22H24ClF4NO4
Molecular Weight477.88 g/mol
Exact Mass477.13
IUPAC Name2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(COc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFNO2.C2HF3O2/c21-17-3-7-19(8-4-17)25-14-20(24)16-9-11-23(12-10-16)13-15-1-5-18(22)6-2-15;3-2(4,5)1(6)7/h1-8,16,20,24H,9-14H2;(H,6,7)
InChIKeyZSTQAPCDKVMBPO-UHFFFAOYSA-N
XLogP4.76
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
CID 18919757
[5-chloro-2-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-hydroxyethoxy]phenyl]urea;methane
CID 24764466
2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 87486047
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
2-[2-[(4R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-hydroxypyrrolidin-1-yl]-4-fluorophenoxy]acetic acid;2,2,2-trifluoroacetic acid
CID 25096298

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid (CID 25057052) is 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC(COc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is ZSTQAPCDKVMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO2.C2HF3O2/c21-17-3-7-19(8-4-17)25-14-20(24)16-9-11-23(12-10-16)13-15-1-5-18(22)6-2-15;3-2(4,5)1(6)7/h1-8,16,20,24H,9-14H2;(H,6,7).
What are the key properties of 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid?
2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 477.88 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25057052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).