ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol

C17H26F3NO — CID 170788295

IUPACethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC.CC(C)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO.C2H6/c1-10(2)11-7-12(15(16,17)18)9-13(8-11)19-5-3-14(20)4-6-19;1-2/h7-10,14,20H,3-6H2,1-2H3;1-2H3
InChIKeyOVCPAKLDFMVRLB-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.82
Rot. Bonds2

About ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol

ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 170788295) has the molecular formula C17H26F3NO and a molecular weight of 317.40 g/mol. Its IUPAC name is ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID170788295
Molecular FormulaC17H26F3NO
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Nameethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC.CC(C)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO.C2H6/c1-10(2)11-7-12(15(16,17)18)9-13(8-11)19-5-3-14(20)4-6-19;1-2/h7-10,14,20H,3-6H2,1-2H3;1-2H3
InChIKeyOVCPAKLDFMVRLB-UHFFFAOYSA-N
XLogP4.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 143712310
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 142478102
1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022301
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
CID 70845344
ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol
CID 144912703
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)benzoic acid
CID 155804240
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol
CID 176665263
1-[3-bromo-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 65492020

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol (CID 170788295) is ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol is CC.CC(C)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is OVCPAKLDFMVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO.C2H6/c1-10(2)11-7-12(15(16,17)18)9-13(8-11)19-5-3-14(20)4-6-19;1-2/h7-10,14,20H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 317.40 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 170788295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).