1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol

C12H20F3NO3 — CID 136516864

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
SMILESOC1(CN2CCCC(O)(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)11(18)2-1-5-16(9-11)8-10(17)3-6-19-7-4-10/h17-18H,1-9H2
InChIKeyXGWMNUQIEDRGEE-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.92
Rot. Bonds2

About 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol

1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 136516864) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
PubChem CID136516864
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
SMILESOC1(CN2CCCC(O)(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)11(18)2-1-5-16(9-11)8-10(17)3-6-19-7-4-10/h17-18H,1-9H2
InChIKeyXGWMNUQIEDRGEE-UHFFFAOYSA-N
XLogP0.92
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol (CID 136516864) is 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol is OC1(CN2CCCC(O)(C(F)(F)F)C2)CCOCC1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is XGWMNUQIEDRGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)11(18)2-1-5-16(9-11)8-10(17)3-6-19-7-4-10/h17-18H,1-9H2.
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol?
1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 283.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 136516864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).