1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol

C16H22F3NO — CID 59774721

IUPAC1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC(C)(C)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-15(2,3)11-8-12(16(17,18)19)10-13(9-11)20-6-4-14(21)5-7-20/h8-10,14,21H,4-7H2,1-3H3
InChIKeyXJZFWVBEWTVHCM-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.96
Rot. Bonds1

About 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol

1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 59774721) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID59774721
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC(C)(C)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-15(2,3)11-8-12(16(17,18)19)10-13(9-11)20-6-4-14(21)5-7-20/h8-10,14,21H,4-7H2,1-3H3
InChIKeyXJZFWVBEWTVHCM-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol (CID 59774721) is 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol is CC(C)(C)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is XJZFWVBEWTVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-15(2,3)11-8-12(16(17,18)19)10-13(9-11)20-6-4-14(21)5-7-20/h8-10,14,21H,4-7H2,1-3H3.
What are the key properties of 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 301.35 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 59774721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).