2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol

C15H26F3NO2 — CID 114339926

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C15H26F3NO2/c16-15(17,18)11-21-10-9-19-8-4-3-6-13(19)12-5-1-2-7-14(12)20/h12-14,20H,1-11H2
InChIKeyLDMSCCSITVAVNO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339926) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339926
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C15H26F3NO2/c16-15(17,18)11-21-10-9-19-8-4-3-6-13(19)12-5-1-2-7-14(12)20/h12-14,20H,1-11H2
InChIKeyLDMSCCSITVAVNO-UHFFFAOYSA-N
XLogP2.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol (CID 114339926) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is LDMSCCSITVAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c16-15(17,18)11-21-10-9-19-8-4-3-6-13(19)12-5-1-2-7-14(12)20/h12-14,20H,1-11H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).