[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol

C13H16F3NO — CID 58438879

IUPAC[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(N2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-8-11(5-4-10(12)9-18)17-6-2-1-3-7-17/h4-5,8,18H,1-3,6-7,9H2
InChIKeyKUGODKXIZHRIEG-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.19
Rot. Bonds2

About [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol

[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol (PubChem CID 58438879) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol
PubChem CID58438879
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(N2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-8-11(5-4-10(12)9-18)17-6-2-1-3-7-17/h4-5,8,18H,1-3,6-7,9H2
InChIKeyKUGODKXIZHRIEG-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol (CID 58438879) is [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol is OCc1ccc(N2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is KUGODKXIZHRIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-8-11(5-4-10(12)9-18)17-6-2-1-3-7-17/h4-5,8,18H,1-3,6-7,9H2.
What are the key properties of [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol?
[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 259.27 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 58438879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).