[5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone

C20H22F2N2O — CID 134408415

IUPAC[5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESCNCC1CCC(F)(F)CN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H22F2N2O/c1-23-13-16-11-12-20(21,22)14-24(16)19(25)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,16,23H,11-14H2,1H3
InChIKeyFFQZSXLGSYKOKU-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.81
Rot. Bonds4

About [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone

[5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 134408415) has the molecular formula C20H22F2N2O and a molecular weight of 344.40 g/mol. Its IUPAC name is [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID134408415
Molecular FormulaC20H22F2N2O
Molecular Weight344.40 g/mol
Exact Mass344.17
IUPAC Name[5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
SMILESCNCC1CCC(F)(F)CN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H22F2N2O/c1-23-13-16-11-12-20(21,22)14-24(16)19(25)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,16,23H,11-14H2,1H3
InChIKeyFFQZSXLGSYKOKU-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 10224695
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-phenylphenoxy)propan-1-one
CID 119650965
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119650964
1-(2-phenylbenzoyl)azetidine-2-carboxamide
CID 67018285
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 124612845
[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 14068808
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
[7-[[(4-methylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone
CID 67497922

Frequently Asked Questions

What is the IUPAC name of [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone (CID 134408415) is [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone is CNCC1CCC(F)(F)CN1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is FFQZSXLGSYKOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-23-13-16-11-12-20(21,22)14-24(16)19(25)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,16,23H,11-14H2,1H3.
What are the key properties of [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone?
[5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 344.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-difluoro-2-(methylaminomethyl)piperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 134408415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).