2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one

C14H22F3NO2 — CID 79552948

IUPAC2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CC(O)C(F)(F)F
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)13(20)9-18-8-4-3-6-11(18)10-5-1-2-7-12(10)19/h10-11,13,20H,1-9H2
InChIKeyLGGLQMFRAYDREZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79552948) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79552948
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CC(O)C(F)(F)F
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)13(20)9-18-8-4-3-6-11(18)10-5-1-2-7-12(10)19/h10-11,13,20H,1-9H2
InChIKeyLGGLQMFRAYDREZ-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one (CID 79552948) is 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CC(O)C(F)(F)F.
What is the InChIKey of 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is LGGLQMFRAYDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)13(20)9-18-8-4-3-6-11(18)10-5-1-2-7-12(10)19/h10-11,13,20H,1-9H2.
What are the key properties of 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 293.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79552948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).