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

C14H27F3N2O — CID 116535227

IUPAC2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-20-12-6-4-9-19(10-12)13(2,11-18)7-5-8-14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyAWOWPBSKGDCRGN-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.94
Rot. Bonds7

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

2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (PubChem CID 116535227) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
PubChem CID116535227
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-20-12-6-4-9-19(10-12)13(2,11-18)7-5-8-14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyAWOWPBSKGDCRGN-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (CID 116535227) is 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is CCOC1CCCN(C(C)(CN)CCCC(F)(F)F)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The InChIKey is AWOWPBSKGDCRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-20-12-6-4-9-19(10-12)13(2,11-18)7-5-8-14(15,16)17/h12H,3-11,18H2,1-2H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is sourced from PubChem (CID 116535227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).