1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C18H24F3NO3 — CID 138808593

IUPAC1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCC2COCCO2)CC1
InChIInChI=1S/C18H24F3NO3/c19-18(20,21)15-3-1-2-14(12-15)17(23)5-8-22(9-6-17)7-4-16-13-24-10-11-25-16/h1-3,12,16,23H,4-11,13H2
InChIKeyBDKKMRWASSTVNB-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 138808593) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID138808593
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCC2COCCO2)CC1
InChIInChI=1S/C18H24F3NO3/c19-18(20,21)15-3-1-2-14(12-15)17(23)5-8-22(9-6-17)7-4-16-13-24-10-11-25-16/h1-3,12,16,23H,4-11,13H2
InChIKeyBDKKMRWASSTVNB-UHFFFAOYSA-N
XLogP2.79
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 67940442
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 124758386
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 124758387
N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
CID 171986071
1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56905869
1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 12805490
1-(4-chloro-2-methylphenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 20560278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 138808593) is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(CCC2COCCO2)CC1.
What is the InChIKey of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is BDKKMRWASSTVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3/c19-18(20,21)15-3-1-2-14(12-15)17(23)5-8-22(9-6-17)7-4-16-13-24-10-11-25-16/h1-3,12,16,23H,4-11,13H2.
What are the key properties of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 359.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 138808593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).