[3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid

C15H20F3NO3 — CID 162089686

IUPAC[3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid
SMILESCc1cc(CO)cc(C(F)(F)F)c1.O=C(O)N1CCCCC1
InChIInChI=1S/C9H9F3O.C6H11NO2/c1-6-2-7(5-13)4-8(3-6)9(10,11)12;8-6(9)7-4-2-1-3-5-7/h2-4,13H,5H2,1H3;1-5H2,(H,8,9)
InChIKeyZDKYDXNMDGOWLE-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.66
Rot. Bonds1

About [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid

[3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid (PubChem CID 162089686) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid.

Molecular Properties

Compound Name[3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid
PubChem CID162089686
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name[3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid
SMILESCc1cc(CO)cc(C(F)(F)F)c1.O=C(O)N1CCCCC1
InChIInChI=1S/C9H9F3O.C6H11NO2/c1-6-2-7(5-13)4-8(3-6)9(10,11)12;8-6(9)7-4-2-1-3-5-7/h2-4,13H,5H2,1H3;1-5H2,(H,8,9)
InChIKeyZDKYDXNMDGOWLE-UHFFFAOYSA-N
XLogP3.66
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid?
The IUPAC name of [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid (CID 162089686) is [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid.
What is the SMILES notation for [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid?
The canonical SMILES for [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid is Cc1cc(CO)cc(C(F)(F)F)c1.O=C(O)N1CCCCC1.
What is the InChIKey of [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid?
The InChIKey is ZDKYDXNMDGOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O.C6H11NO2/c1-6-2-7(5-13)4-8(3-6)9(10,11)12;8-6(9)7-4-2-1-3-5-7/h2-4,13H,5H2,1H3;1-5H2,(H,8,9).
What are the key properties of [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid?
[3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(trifluoromethyl)phenyl]methanol;piperidine-1-carboxylic acid is sourced from PubChem (CID 162089686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).