1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone

C14H23F3N2O2 — CID 124727582

IUPAC1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1[C@@H](O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-10-5-2-3-8-19(10)12(20)9-18-7-4-6-11(18)13(21)14(15,16)17/h10-11,13,21H,2-9H2,1H3/t10-,11+,13-/m1/s1
InChIKeyDAWLINGTOBVJGQ-NTZNESFSSA-N
MW308.34 g/mol
LogP1.77
Rot. Bonds3

About 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone (PubChem CID 124727582) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
PubChem CID124727582
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1[C@@H](O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-10-5-2-3-8-19(10)12(20)9-18-7-4-6-11(18)13(21)14(15,16)17/h10-11,13,21H,2-9H2,1H3/t10-,11+,13-/m1/s1
InChIKeyDAWLINGTOBVJGQ-NTZNESFSSA-N
XLogP1.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone (CID 124727582) is 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone is C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1[C@@H](O)C(F)(F)F.
What is the InChIKey of 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The InChIKey is DAWLINGTOBVJGQ-NTZNESFSSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-10-5-2-3-8-19(10)12(20)9-18-7-4-6-11(18)13(21)14(15,16)17/h10-11,13,21H,2-9H2,1H3/t10-,11+,13-/m1/s1.
What are the key properties of 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124727582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).