(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one

C11H13FN2O — CID 95369037

IUPAC(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
SMILESN[C@@H]1CCC(=O)N[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(15)14-11/h1-3,6,9,11H,4-5,13H2,(H,14,15)/t9-,11+/m1/s1
InChIKeyBPSRREZKQYQQDX-KOLCDFICSA-N
MW208.24 g/mol
LogP1.10
Rot. Bonds1

About (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one

(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one (PubChem CID 95369037) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
PubChem CID95369037
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
SMILESN[C@@H]1CCC(=O)N[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(15)14-11/h1-3,6,9,11H,4-5,13H2,(H,14,15)/t9-,11+/m1/s1
InChIKeyBPSRREZKQYQQDX-KOLCDFICSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one
CID 106818871
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995
(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
CID 67311120
5-amino-6-(3,5-dibromophenyl)piperidin-2-one
CID 91619282
5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 22106511
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
4-amino-5-phenylpyrrolidin-2-one
CID 75606920

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one (CID 95369037) is (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one is N[C@@H]1CCC(=O)N[C@H]1c1cccc(F)c1.
What is the InChIKey of (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one?
The InChIKey is BPSRREZKQYQQDX-KOLCDFICSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(15)14-11/h1-3,6,9,11H,4-5,13H2,(H,14,15)/t9-,11+/m1/s1.
What are the key properties of (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one?
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 95369037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).