(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one

C17H25FN2O — CID 124692467

IUPAC(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
SMILESC[C@H](CCc1ccccc1F)C(=O)N1CCCC[C@H]1CN
InChIInChI=1S/C17H25FN2O/c1-13(9-10-14-6-2-3-8-16(14)18)17(21)20-11-5-4-7-15(20)12-19/h2-3,6,8,13,15H,4-5,7,9-12,19H2,1H3/t13-,15+/m1/s1
InChIKeyHZHUJLMHYGMUEP-HIFRSBDPSA-N
MW292.40 g/mol
LogP2.73
Rot. Bonds5

About (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one

(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one (PubChem CID 124692467) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
PubChem CID124692467
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
SMILESC[C@H](CCc1ccccc1F)C(=O)N1CCCC[C@H]1CN
InChIInChI=1S/C17H25FN2O/c1-13(9-10-14-6-2-3-8-16(14)18)17(21)20-11-5-4-7-15(20)12-19/h2-3,6,8,13,15H,4-5,7,9-12,19H2,1H3/t13-,15+/m1/s1
InChIKeyHZHUJLMHYGMUEP-HIFRSBDPSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124688628
1-[2-(aminomethyl)piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119466502
(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 124692471
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119631263
3-(2-fluorophenyl)-2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119651746
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
(2R)-2-amino-1-[(2S)-2-(anilinomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 140522783
1-[2-(aminomethyl)azepan-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 116639956
(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124687905
1-(1,4-diazepan-1-yl)-4-(2-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119415154
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one (CID 124692467) is (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one is C[C@H](CCc1ccccc1F)C(=O)N1CCCC[C@H]1CN.
What is the InChIKey of (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one?
The InChIKey is HZHUJLMHYGMUEP-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(9-10-14-6-2-3-8-16(14)18)17(21)20-11-5-4-7-15(20)12-19/h2-3,6,8,13,15H,4-5,7,9-12,19H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one?
(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one has a molecular weight of 292.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one is sourced from PubChem (CID 124692467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).