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

C10H18F3NO — CID 102959656

IUPAC4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol
SMILESCC1CCN(CCCC(F)(F)F)CC1O
InChIInChI=1S/C10H18F3NO/c1-8-3-6-14(7-9(8)15)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyKZPYHAOREKNDPX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds3

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

4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol (PubChem CID 102959656) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol
PubChem CID102959656
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol
SMILESCC1CCN(CCCC(F)(F)F)CC1O
InChIInChI=1S/C10H18F3NO/c1-8-3-6-14(7-9(8)15)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyKZPYHAOREKNDPX-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol (CID 102959656) is 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol is CC1CCN(CCCC(F)(F)F)CC1O.
What is the InChIKey of 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol?
The InChIKey is KZPYHAOREKNDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8-3-6-14(7-9(8)15)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol?
4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4,4,4-trifluorobutyl)piperidin-3-ol is sourced from PubChem (CID 102959656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).