1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol

C10H18F3NO2 — CID 107394200

IUPAC1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol
SMILESCOC1(C)CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-9(16-2)4-3-5-14(7-9)6-8(15)10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyRCCSGHBLEHFWOP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds3

About 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol

1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol (PubChem CID 107394200) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol
PubChem CID107394200
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol
SMILESCOC1(C)CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-9(16-2)4-3-5-14(7-9)6-8(15)10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyRCCSGHBLEHFWOP-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol (CID 107394200) is 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol is COC1(C)CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is RCCSGHBLEHFWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(16-2)4-3-5-14(7-9)6-8(15)10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 107394200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).