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

C17H21F4NO3 — CID 154887795

IUPAC1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCN(CC2(c3ccccc3F)CC2)CC1
InChIInChI=1S/C15H20FNO.C2HF3O2/c16-14-4-2-1-3-13(14)15(7-8-15)11-17-9-5-12(18)6-10-17;3-2(4,5)1(6)7/h1-4,12,18H,5-11H2;(H,6,7)
InChIKeyIBGVVSZMYYKMJT-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.95
Rot. Bonds3

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

1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 154887795) has the molecular formula C17H21F4NO3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid
PubChem CID154887795
Molecular FormulaC17H21F4NO3
Molecular Weight363.35 g/mol
Exact Mass363.15
IUPAC Name1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCN(CC2(c3ccccc3F)CC2)CC1
InChIInChI=1S/C15H20FNO.C2HF3O2/c16-14-4-2-1-3-13(14)15(7-8-15)11-17-9-5-12(18)6-10-17;3-2(4,5)1(6)7/h1-4,12,18H,5-11H2;(H,6,7)
InChIKeyIBGVVSZMYYKMJT-UHFFFAOYSA-N
XLogP2.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-Methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidin-4-ol
CID 142475175
US11214540, Example 25
CID 142475217
1-[(1-Phenylcyclopropyl)methyl]-4-piperidinol
CID 29021859
3,3-difluoro-1-[(1S,2S)-2-phenylcyclopropyl]piperidin-4-ol
CID 164638965
3-{(1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}-1-propanol
CID 59759994
3-[1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol
CID 72554526
1-[2-(2,5-Difluorophenyl)ethyl]piperidin-4-ol
CID 82477444
1-[2-(3,4-Difluorophenyl)ethyl]piperidin-4-ol
CID 82477445
1-[2-(2,4-Difluorophenyl)ethyl]piperidin-4-ol
CID 82477446
1-[3-[4-(1,1-Difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol
CID 142475448
3-[4-[(3,4-difluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]propanoic acid
CID 147194727
3-[4-[(2,4-difluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]propanoic acid
CID 148635707

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid (CID 154887795) is 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1CCN(CC2(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is IBGVVSZMYYKMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.C2HF3O2/c16-14-4-2-1-3-13(14)15(7-8-15)11-17-9-5-12(18)6-10-17;3-2(4,5)1(6)7/h1-4,12,18H,5-11H2;(H,6,7).
What are the key properties of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid?
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 363.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).