3-(2,3,4-trifluorophenyl)piperidin-3-ol

C11H12F3NO — CID 63588689

IUPAC3-(2,3,4-trifluorophenyl)piperidin-3-ol
SMILESOC1(c2ccc(F)c(F)c2F)CCCNC1
InChIInChI=1S/C11H12F3NO/c12-8-3-2-7(9(13)10(8)14)11(16)4-1-5-15-6-11/h2-3,15-16H,1,4-6H2
InChIKeyHCQGAGYZDZKUDL-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.67
Rot. Bonds1

About 3-(2,3,4-trifluorophenyl)piperidin-3-ol

3-(2,3,4-trifluorophenyl)piperidin-3-ol (PubChem CID 63588689) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-(2,3,4-trifluorophenyl)piperidin-3-ol.

Molecular Properties

Compound Name3-(2,3,4-trifluorophenyl)piperidin-3-ol
PubChem CID63588689
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-(2,3,4-trifluorophenyl)piperidin-3-ol
SMILESOC1(c2ccc(F)c(F)c2F)CCCNC1
InChIInChI=1S/C11H12F3NO/c12-8-3-2-7(9(13)10(8)14)11(16)4-1-5-15-6-11/h2-3,15-16H,1,4-6H2
InChIKeyHCQGAGYZDZKUDL-UHFFFAOYSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Azacyclonol
CID 15723
Pipradrol
CID 10083
4-Phenylpiperidin-4-ol
CID 96387
3-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 200556
Pipradrol Hydrochloride
CID 66008
4-Piperidinemethanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
CID 15722
3-Phenylpyrrolidin-3-ol hydrochloride
CID 200280
4-Piperidinol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)
CID 197746
Phenyl(piperidin-2-yl)methanol
CID 225581
4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
CID 75255
3-Amino-1,1,1-trifluoro-2-phenylpropan-2-ol
CID 21024138
(4-Fluorophenyl)(piperidin-4-yl)methanol
CID 4778266

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorophenyl)piperidin-3-ol?
The IUPAC name of 3-(2,3,4-trifluorophenyl)piperidin-3-ol (CID 63588689) is 3-(2,3,4-trifluorophenyl)piperidin-3-ol.
What is the SMILES notation for 3-(2,3,4-trifluorophenyl)piperidin-3-ol?
The canonical SMILES for 3-(2,3,4-trifluorophenyl)piperidin-3-ol is OC1(c2ccc(F)c(F)c2F)CCCNC1.
What is the InChIKey of 3-(2,3,4-trifluorophenyl)piperidin-3-ol?
The InChIKey is HCQGAGYZDZKUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-8-3-2-7(9(13)10(8)14)11(16)4-1-5-15-6-11/h2-3,15-16H,1,4-6H2.
What are the key properties of 3-(2,3,4-trifluorophenyl)piperidin-3-ol?
3-(2,3,4-trifluorophenyl)piperidin-3-ol has a molecular weight of 231.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorophenyl)piperidin-3-ol is sourced from PubChem (CID 63588689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).