4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol

C14H17ClF3NO2 — CID 2738519

IUPAC4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc(Cl)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H17ClF3NO2/c15-11-3-1-10(2-4-11)13(21)5-7-19(8-6-13)9-12(20)14(16,17)18/h1-4,12,20-21H,5-9H2
InChIKeyMWSXDWORDBFMGH-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.55
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol (PubChem CID 2738519) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol
PubChem CID2738519
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC Name4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc(Cl)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H17ClF3NO2/c15-11-3-1-10(2-4-11)13(21)5-7-19(8-6-13)9-12(20)14(16,17)18/h1-4,12,20-21H,5-9H2
InChIKeyMWSXDWORDBFMGH-UHFFFAOYSA-N
XLogP2.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol (CID 2738519) is 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol is OC(CN1CCC(O)(c2ccc(Cl)cc2)CC1)C(F)(F)F.
What is the InChIKey of 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
The InChIKey is MWSXDWORDBFMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2/c15-11-3-1-10(2-4-11)13(21)5-7-19(8-6-13)9-12(20)14(16,17)18/h1-4,12,20-21H,5-9H2.
What are the key properties of 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol has a molecular weight of 323.74 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol is sourced from PubChem (CID 2738519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).