(1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine

C17H26F3N3O — CID 164634363

IUPAC(1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
SMILESCCOc1cccc(CN[C@@H](C)C2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C17H26F3N3O/c1-3-24-16-6-4-5-15(22-16)11-21-13(2)14-7-9-23(10-8-14)12-17(18,19)20/h4-6,13-14,21H,3,7-12H2,1-2H3/t13-/m0/s1
InChIKeyKUQWQLAQWSMQJG-ZDUSSCGKSA-N
MW345.41 g/mol
LogP3.23
Rot. Bonds7

About (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine

(1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine (PubChem CID 164634363) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
PubChem CID164634363
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC Name(1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
SMILESCCOc1cccc(CN[C@@H](C)C2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C17H26F3N3O/c1-3-24-16-6-4-5-15(22-16)11-21-13(2)14-7-9-23(10-8-14)12-17(18,19)20/h4-6,13-14,21H,3,7-12H2,1-2H3/t13-/m0/s1
InChIKeyKUQWQLAQWSMQJG-ZDUSSCGKSA-N
XLogP3.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
The IUPAC name of (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine (CID 164634363) is (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine is CCOc1cccc(CN[C@@H](C)C2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
The InChIKey is KUQWQLAQWSMQJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26F3N3O/c1-3-24-16-6-4-5-15(22-16)11-21-13(2)14-7-9-23(10-8-14)12-17(18,19)20/h4-6,13-14,21H,3,7-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine?
(1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine has a molecular weight of 345.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 164634363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).