6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine

C15H29F3N2O — CID 116535226

IUPAC6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine
SMILESCCCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-3-10-21-13-6-4-9-20(11-13)14(2,12-19)7-5-8-15(16,17)18/h13H,3-12,19H2,1-2H3
InChIKeyYNQRFIBTNQHDTD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds8

About 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine

6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine (PubChem CID 116535226) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine
PubChem CID116535226
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine
SMILESCCCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-3-10-21-13-6-4-9-20(11-13)14(2,12-19)7-5-8-15(16,17)18/h13H,3-12,19H2,1-2H3
InChIKeyYNQRFIBTNQHDTD-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
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-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine (CID 116535226) is 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine is CCCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine?
The InChIKey is YNQRFIBTNQHDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-10-21-13-6-4-9-20(11-13)14(2,12-19)7-5-8-15(16,17)18/h13H,3-12,19H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine?
6,6,6-trifluoro-2-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.33, 8 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-methyl-2-(3-propoxypiperidin-1-yl)hexan-1-amine is sourced from PubChem (CID 116535226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).