2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone

C18H25FN2O3 — CID 78085563

IUPAC2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC(CO)C(CN2CCOCC2)C1
InChIInChI=1S/C18H25FN2O3/c19-17-4-2-1-3-14(17)9-18(23)21-11-15(16(12-21)13-22)10-20-5-7-24-8-6-20/h1-4,15-16,22H,5-13H2
InChIKeyDSHKJPLWHTYGFF-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.77
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 78085563) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID78085563
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC(CO)C(CN2CCOCC2)C1
InChIInChI=1S/C18H25FN2O3/c19-17-4-2-1-3-14(17)9-18(23)21-11-15(16(12-21)13-22)10-20-5-7-24-8-6-20/h1-4,15-16,22H,5-13H2
InChIKeyDSHKJPLWHTYGFF-UHFFFAOYSA-N
XLogP0.77
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 72863684
3-(3-fluorophenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 70721262
1-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 70738669
1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 133139254
1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 156605318
(3-chloro-2-fluorophenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 70713744
3-(furan-2-yl)-1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 133131291
(3R,4R)-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 72895815
1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-indazol-2-ylethanone
CID 70716665
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72886667
2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739662

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone (CID 78085563) is 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CC(CO)C(CN2CCOCC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DSHKJPLWHTYGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-17-4-2-1-3-14(17)9-18(23)21-11-15(16(12-21)13-22)10-20-5-7-24-8-6-20/h1-4,15-16,22H,5-13H2.
What are the key properties of 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 336.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 78085563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).