[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone

C19H27FN2O2 — CID 110624429

IUPAC[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2Cc2ccccc2F)C(C)(C)CO1
InChIInChI=1S/C19H27FN2O2/c1-14-11-22(19(2,3)13-24-14)18(23)17-9-6-10-21(17)12-15-7-4-5-8-16(15)20/h4-5,7-8,14,17H,6,9-13H2,1-3H3
InChIKeyFJOHWAPGBVATQA-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.82
Rot. Bonds3

About [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone

[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone (PubChem CID 110624429) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
PubChem CID110624429
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2Cc2ccccc2F)C(C)(C)CO1
InChIInChI=1S/C19H27FN2O2/c1-14-11-22(19(2,3)13-24-14)18(23)17-9-6-10-21(17)12-15-7-4-5-8-16(15)20/h4-5,7-8,14,17H,6,9-13H2,1-3H3
InChIKeyFJOHWAPGBVATQA-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone (CID 110624429) is [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCCN2Cc2ccccc2F)C(C)(C)CO1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The InChIKey is FJOHWAPGBVATQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14-11-22(19(2,3)13-24-14)18(23)17-9-6-10-21(17)12-15-7-4-5-8-16(15)20/h4-5,7-8,14,17H,6,9-13H2,1-3H3.
What are the key properties of [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone has a molecular weight of 334.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 110624429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).