1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid

C17H21F4NO3 — CID 154886174

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCCN(CC2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H20FNO.C2HF3O2/c16-13-5-3-12(4-6-13)15(7-8-15)11-17-9-1-2-14(18)10-17;3-2(4,5)1(6)7/h3-6,14,18H,1-2,7-11H2;(H,6,7)
InChIKeyQRLOQYGHVVUGPD-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.95
Rot. Bonds3

About 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 154886174) has the molecular formula C17H21F4NO3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID154886174
Molecular FormulaC17H21F4NO3
Molecular Weight363.35 g/mol
Exact Mass363.15
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCCN(CC2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H20FNO.C2HF3O2/c16-13-5-3-12(4-6-13)15(7-8-15)11-17-9-1-2-14(18)10-17;3-2(4,5)1(6)7/h3-6,14,18H,1-2,7-11H2;(H,6,7)
InChIKeyQRLOQYGHVVUGPD-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-{[1-(2-Fluorophenyl)cyclopropyl]methyl}-4-piperidinol
CID 28077394
1-{[1-(4-Fluorophenyl)cyclopropyl]methyl}-4-piperidinol
CID 28391560
[1-(4-Fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
CID 43417218
1-[[1-(4-Fluorophenyl)cyclopropyl]methyl]piperidin-3-ol
CID 56854080
[1-(4-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93041192
(3S)-1-(2,2-difluoro-2-phenylethyl)piperidin-3-ol
CID 107225794
2,2,2-Trifluoro-1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]ethanol
CID 109975207
(3-Hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
[1-(3-Fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111375862
[1-(2-Fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111433067
[1-(4-Fluorophenyl)cyclopropyl]-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329052
1-(2,2-Difluoro-2-phenylethyl)piperidin-3-ol
CID 116790362

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid (CID 154886174) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1CCCN(CC2(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is QRLOQYGHVVUGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.C2HF3O2/c16-13-5-3-12(4-6-13)15(7-8-15)11-17-9-1-2-14(18)10-17;3-2(4,5)1(6)7/h3-6,14,18H,1-2,7-11H2;(H,6,7).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-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-(4-fluorophenyl)cyclopropyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).