6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine

C13H25F3N2O — CID 102965097

IUPAC6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine
SMILESCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(10-17,6-4-7-13(14,15)16)18-8-3-5-11(9-18)19-2/h11H,3-10,17H2,1-2H3
InChIKeyPUJRTDVSKFVLHS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.55
Rot. Bonds6

About 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine

6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine (PubChem CID 102965097) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine
PubChem CID102965097
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine
SMILESCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(10-17,6-4-7-13(14,15)16)18-8-3-5-11(9-18)19-2/h11H,3-10,17H2,1-2H3
InChIKeyPUJRTDVSKFVLHS-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine (CID 102965097) is 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine is COC1CCCN(C(C)(CN)CCCC(F)(F)F)C1.
What is the InChIKey of 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine?
The InChIKey is PUJRTDVSKFVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(10-17,6-4-7-13(14,15)16)18-8-3-5-11(9-18)19-2/h11H,3-10,17H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine?
6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine is sourced from PubChem (CID 102965097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).