4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)

C24H31F7N2O5 — CID 154886853

IUPAC4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESFc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29FN2O.2C2HF3O2/c21-19-4-2-1-3-18(19)20(7-8-20)16-23-9-5-17(6-10-23)15-22-11-13-24-14-12-22;2*3-2(4,5)1(6)7/h1-4,17H,5-16H2;2*(H,6,7)
InChIKeyCVEHAOYMCKTNDG-UHFFFAOYSA-N
MW560.51 g/mol
LogP4.17
Rot. Bonds5

About 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)

4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154886853) has the molecular formula C24H31F7N2O5 and a molecular weight of 560.51 g/mol. Its IUPAC name is 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID154886853
Molecular FormulaC24H31F7N2O5
Molecular Weight560.51 g/mol
Exact Mass560.21
IUPAC Name4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESFc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29FN2O.2C2HF3O2/c21-19-4-2-1-3-18(19)20(7-8-20)16-23-9-5-17(6-10-23)15-22-11-13-24-14-12-22;2*3-2(4,5)1(6)7/h1-4,17H,5-16H2;2*(H,6,7)
InChIKeyCVEHAOYMCKTNDG-UHFFFAOYSA-N
XLogP4.17
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-[[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
CID 88965160
1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one
CID 142103340
3,4,4-Trifluorobut-3-enyl 2,2-difluoro-2-(4-phenylpiperidin-1-yl)acetate
CID 177947507
4-[(1-{[1-(2-Fluorophenyl)cyclopropyl]methyl}-4-piperidinyl)methyl]morpholine
CID 29218220
1-[[1-(4-Fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 154884971
4-(5-Phenylpentyl)morpholine;2,2,2-trifluoroacetic acid
CID 154885866
1-[2-(2-Fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
CID 154886052
1-[[1-(4-Fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
CID 154886174
4-[(1-Methyl-4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane;bis(2,2,2-trifluoroacetic acid)
CID 154886384
4-[2-[1-[2-(3-Fluorophenyl)ethyl]piperidin-2-yl]ethyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 154887222
1-[(E)-3-phenylprop-2-enyl]-4-(spiro[2.5]octan-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 154887723
1-[[1-(2-Fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 154887795

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) (CID 154886853) is 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) is Fc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CVEHAOYMCKTNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O.2C2HF3O2/c21-19-4-2-1-3-18(19)20(7-8-20)16-23-9-5-17(6-10-23)15-22-11-13-24-14-12-22;2*3-2(4,5)1(6)7/h1-4,17H,5-16H2;2*(H,6,7).
What are the key properties of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)?
4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 560.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154886853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).