(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one

C18H27FN2O — CID 124687905

IUPAC(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNC[C@H]1CCCN(C(=O)[C@H](C)CCc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O/c1-14(9-10-16-7-3-4-8-17(16)19)18(22)21-11-5-6-15(13-21)12-20-2/h3-4,7-8,14-15,20H,5-6,9-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyBDANERLBTZDZJO-HUUCEWRRSA-N
MW306.42 g/mol
LogP2.85
Rot. Bonds6

About (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one

(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 124687905) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID124687905
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCNC[C@H]1CCCN(C(=O)[C@H](C)CCc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O/c1-14(9-10-16-7-3-4-8-17(16)19)18(22)21-11-5-6-15(13-21)12-20-2/h3-4,7-8,14-15,20H,5-6,9-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyBDANERLBTZDZJO-HUUCEWRRSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

4-(3-fluorophenyl)-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119395181
2-fluoro-N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 119394799
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
3-(4-fluorophenyl)sulfonyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396399
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493131
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119398780
1-(1,4-diazepan-1-yl)-4-(2-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119415154
N-[[4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 75374460
N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 97218270
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124688628

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one (CID 124687905) is (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one is CNC[C@H]1CCCN(C(=O)[C@H](C)CCc2ccccc2F)C1.
What is the InChIKey of (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is BDANERLBTZDZJO-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-14(9-10-16-7-3-4-8-17(16)19)18(22)21-11-5-6-15(13-21)12-20-2/h3-4,7-8,14-15,20H,5-6,9-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one?
(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 306.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 124687905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).