3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol

C9H16F3NO — CID 115874138

IUPAC3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol
SMILESCC1(O)CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(14)3-2-5-13(7-8)6-4-9(10,11)12/h14H,2-7H2,1H3
InChIKeyQHGGHSILAIONSY-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.79
Rot. Bonds2

About 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol

3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol (PubChem CID 115874138) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol
PubChem CID115874138
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol
SMILESCC1(O)CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(14)3-2-5-13(7-8)6-4-9(10,11)12/h14H,2-7H2,1H3
InChIKeyQHGGHSILAIONSY-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol (CID 115874138) is 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol is CC1(O)CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The InChIKey is QHGGHSILAIONSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(14)3-2-5-13(7-8)6-4-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol has a molecular weight of 211.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol is sourced from PubChem (CID 115874138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).