2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol

C14H18F3NO — CID 175567648

IUPAC2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol
SMILESCC1(c2ccccc2O)CCN(C(F)C(F)F)CC1
InChIInChI=1S/C14H18F3NO/c1-14(10-4-2-3-5-11(10)19)6-8-18(9-7-14)13(17)12(15)16/h2-5,12-13,19H,6-9H2,1H3
InChIKeyYFSLUYQVSWLDDD-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.31
Rot. Bonds3

About 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol

2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol (PubChem CID 175567648) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol
PubChem CID175567648
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol
SMILESCC1(c2ccccc2O)CCN(C(F)C(F)F)CC1
InChIInChI=1S/C14H18F3NO/c1-14(10-4-2-3-5-11(10)19)6-8-18(9-7-14)13(17)12(15)16/h2-5,12-13,19H,6-9H2,1H3
InChIKeyYFSLUYQVSWLDDD-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol?
The IUPAC name of 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol (CID 175567648) is 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol.
What is the SMILES notation for 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol?
The canonical SMILES for 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol is CC1(c2ccccc2O)CCN(C(F)C(F)F)CC1.
What is the InChIKey of 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol?
The InChIKey is YFSLUYQVSWLDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-14(10-4-2-3-5-11(10)19)6-8-18(9-7-14)13(17)12(15)16/h2-5,12-13,19H,6-9H2,1H3.
What are the key properties of 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol?
2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol has a molecular weight of 273.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-(1,2,2-trifluoroethyl)piperidin-4-yl]phenol is sourced from PubChem (CID 175567648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).