3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

C10H18F3NO — CID 63899987

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1CC(C)CN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-3-8(2)5-14(4-7)6-9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3
InChIKeySRQHHLHPKIYHLA-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.89
Rot. Bonds2

About 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63899987) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63899987
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1CC(C)CN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-3-8(2)5-14(4-7)6-9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3
InChIKeySRQHHLHPKIYHLA-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 63899987) is 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is CC1CC(C)CN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is SRQHHLHPKIYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-3-8(2)5-14(4-7)6-9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).