2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol

C20H30F3NO — CID 142475315

IUPAC2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol
SMILESCC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CCO)CC1
InChIInChI=1S/C20H30F3NO/c1-15(24-11-8-16(9-12-24)10-13-25)14-19(2,3)17-4-6-18(7-5-17)20(21,22)23/h4-7,15-16,25H,8-14H2,1-3H3
InChIKeyGRKKHRUEIAELRH-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.86
Rot. Bonds6

About 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol

2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol (PubChem CID 142475315) has the molecular formula C20H30F3NO and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol
PubChem CID142475315
Molecular FormulaC20H30F3NO
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol
SMILESCC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CCO)CC1
InChIInChI=1S/C20H30F3NO/c1-15(24-11-8-16(9-12-24)10-13-25)14-19(2,3)17-4-6-18(7-5-17)20(21,22)23/h4-7,15-16,25H,8-14H2,1-3H3
InChIKeyGRKKHRUEIAELRH-UHFFFAOYSA-N
XLogP4.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol (CID 142475315) is 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol is CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CCO)CC1.
What is the InChIKey of 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol?
The InChIKey is GRKKHRUEIAELRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO/c1-15(24-11-8-16(9-12-24)10-13-25)14-19(2,3)17-4-6-18(7-5-17)20(21,22)23/h4-7,15-16,25H,8-14H2,1-3H3.
What are the key properties of 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol?
2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol has a molecular weight of 357.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 142475315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).