[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

C17H24ClFN2O2 — CID 120934242

IUPAC[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-11-9-14(13-3-5-15(18)6-4-13)10-20(11)17(21)16-12(2)22-8-7-19-16;/h3-6,11-12,14,16,19H,7-10H2,1-2H3;1H/t11?,12-,14?,16+;/m1./s1
InChIKeyQEWGJXYNKKBLIK-LTEKUZJISA-N
MW342.84 g/mol
LogP2.33
Rot. Bonds2

About [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (PubChem CID 120934242) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
PubChem CID120934242
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-11-9-14(13-3-5-15(18)6-4-13)10-20(11)17(21)16-12(2)22-8-7-19-16;/h3-6,11-12,14,16,19H,7-10H2,1-2H3;1H/t11?,12-,14?,16+;/m1./s1
InChIKeyQEWGJXYNKKBLIK-LTEKUZJISA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934243
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119330951
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120926032
(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
CID 120925889
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 120933033
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The IUPAC name of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (CID 120934242) is [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The canonical SMILES for [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is CC1CC(c2ccc(F)cc2)CN1C(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The InChIKey is QEWGJXYNKKBLIK-LTEKUZJISA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c1-11-9-14(13-3-5-15(18)6-4-13)10-20(11)17(21)16-12(2)22-8-7-19-16;/h3-6,11-12,14,16,19H,7-10H2,1-2H3;1H/t11?,12-,14?,16+;/m1./s1.
What are the key properties of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120934242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).