ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol

C15H22F3NO — CID 143712310

IUPACethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC.Cc1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO.C2H6/c1-9-6-10(13(14,15)16)8-11(7-9)17-4-2-12(18)3-5-17;1-2/h6-8,12,18H,2-5H2,1H3;1-2H3
InChIKeyGEARJOPSUBVGPJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.00
Rot. Bonds1

About ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol

ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 143712310) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID143712310
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Nameethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC.Cc1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO.C2H6/c1-9-6-10(13(14,15)16)8-11(7-9)17-4-2-12(18)3-5-17;1-2/h6-8,12,18H,2-5H2,1H3;1-2H3
InChIKeyGEARJOPSUBVGPJ-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 142478102
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 170788295
1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 58366312
2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 58563433
1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022301
1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
CID 70845344
ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol
CID 144912703
1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 58366841
4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine
CID 118084323
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol (CID 143712310) is ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol is CC.Cc1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is GEARJOPSUBVGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO.C2H6/c1-9-6-10(13(14,15)16)8-11(7-9)17-4-2-12(18)3-5-17;1-2/h6-8,12,18H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 289.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 143712310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).