2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C19H25F3N2O2 — CID 86708236

IUPAC2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CC1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)18(26)24(13-14-6-8-23(9-7-14)10-11-25)17-12-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,25H,6-13H2/t16-,17+/m0/s1
InChIKeyYKXKTIIWCBZIDB-DLBZAZTESA-N
MW370.42 g/mol
LogP2.64
Rot. Bonds6

About 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 86708236) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID86708236
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CC1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)18(26)24(13-14-6-8-23(9-7-14)10-11-25)17-12-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,25H,6-13H2/t16-,17+/m0/s1
InChIKeyYKXKTIIWCBZIDB-DLBZAZTESA-N
XLogP2.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 86708236) is 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is O=C(N(CC1CCN(CCO)CC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is YKXKTIIWCBZIDB-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-19(21,22)18(26)24(13-14-6-8-23(9-7-14)10-11-25)17-12-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,25H,6-13H2/t16-,17+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 86708236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).