(4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one

C19H20F2N2O — CID 90654724

IUPAC(4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one
SMILESNC[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O/c20-15-6-7-18(21)17(8-15)16-9-19(24)23(12-14(16)10-22)11-13-4-2-1-3-5-13/h1-8,14,16H,9-12,22H2/t14-,16-/m0/s1
InChIKeyVLMRHZZWZAZTHW-HOCLYGCPSA-N
MW330.38 g/mol
LogP3.06
Rot. Bonds4

About (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one

(4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one (PubChem CID 90654724) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one
PubChem CID90654724
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one
SMILESNC[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O/c20-15-6-7-18(21)17(8-15)16-9-19(24)23(12-14(16)10-22)11-13-4-2-1-3-5-13/h1-8,14,16H,9-12,22H2/t14-,16-/m0/s1
InChIKeyVLMRHZZWZAZTHW-HOCLYGCPSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(2,5-difluorophenyl)piperidin-2-one
CID 171342889
(3S,4R)-1-benzyl-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 70033028
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758912
1-benzyl-4-(2,6-difluoro-4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347537
1-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 45032320
(4R)-1-benzyl-4-(furan-2-yl)pyrrolidin-2-one
CID 102377410
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94471729
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
CID 72725322
1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
CID 102583572

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one?
The IUPAC name of (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one (CID 90654724) is (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one.
What is the SMILES notation for (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one?
The canonical SMILES for (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one is NC[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one?
The InChIKey is VLMRHZZWZAZTHW-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H20F2N2O/c20-15-6-7-18(21)17(8-15)16-9-19(24)23(12-14(16)10-22)11-13-4-2-1-3-5-13/h1-8,14,16H,9-12,22H2/t14-,16-/m0/s1.
What are the key properties of (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one?
(4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one has a molecular weight of 330.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one is sourced from PubChem (CID 90654724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).