1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol

C9H16F3NO — CID 64565760

IUPAC1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
SMILESCN1CCC(O)(CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-6-4-8(14,5-7-13)2-3-9(10,11)12/h14H,2-7H2,1H3
InChIKeyXISRGNTZAUTAEV-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.79
Rot. Bonds2

About 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol

1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol (PubChem CID 64565760) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
PubChem CID64565760
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
SMILESCN1CCC(O)(CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-6-4-8(14,5-7-13)2-3-9(10,11)12/h14H,2-7H2,1H3
InChIKeyXISRGNTZAUTAEV-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 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
The IUPAC name of 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol (CID 64565760) is 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
The canonical SMILES for 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol is CN1CCC(O)(CCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
The InChIKey is XISRGNTZAUTAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-6-4-8(14,5-7-13)2-3-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-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 1-methyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol is sourced from PubChem (CID 64565760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).