[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C13H17FN2O2 — CID 79881812

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCN(C)C1CCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C13H17FN2O2/c1-15(2)10-5-6-16(8-10)13(18)11-7-9(14)3-4-12(11)17/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyUOKJLNSLTBPQNS-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.31
Rot. Bonds2

About [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 79881812) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID79881812
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCN(C)C1CCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C13H17FN2O2/c1-15(2)10-5-6-16(8-10)13(18)11-7-9(14)3-4-12(11)17/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyUOKJLNSLTBPQNS-UHFFFAOYSA-N
XLogP1.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430549
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
[3-(dimethylamino)azetidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 172646725

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 79881812) is [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is CN(C)C1CCN(C(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is UOKJLNSLTBPQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-15(2)10-5-6-16(8-10)13(18)11-7-9(14)3-4-12(11)17/h3-4,7,10,17H,5-6,8H2,1-2H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 79881812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).