(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one

C11H13FN2O — CID 124634526

IUPAC(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
SMILESNc1ccc([C@@H]2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C11H13FN2O/c12-10-6-8(13)1-2-9(10)7-3-4-14-11(15)5-7/h1-2,6-7H,3-5,13H2,(H,14,15)/t7-/m1/s1
InChIKeyGHKJTFMHKBSIOI-SSDOTTSWSA-N
MW208.24 g/mol
LogP1.40
Rot. Bonds1

About (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one

(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one (PubChem CID 124634526) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
PubChem CID124634526
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
SMILESNc1ccc([C@@H]2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C11H13FN2O/c12-10-6-8(13)1-2-9(10)7-3-4-14-11(15)5-7/h1-2,6-7H,3-5,13H2,(H,14,15)/t7-/m1/s1
InChIKeyGHKJTFMHKBSIOI-SSDOTTSWSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one
CID 124634458
(4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one
CID 124634542
4-(4-acetyl-2-fluorophenyl)piperidin-2-one
CID 53417743
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one
CID 53417897
4-(2-bromophenyl)piperidin-2-one
CID 117209344
4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
CID 176969199
4-(4,4-difluorocyclohexyl)-3-fluoroaniline
CID 162444535
4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 53417785
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209505

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one?
The IUPAC name of (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one (CID 124634526) is (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one.
What is the SMILES notation for (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one?
The canonical SMILES for (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one is Nc1ccc([C@@H]2CCNC(=O)C2)c(F)c1.
What is the InChIKey of (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one?
The InChIKey is GHKJTFMHKBSIOI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-10-6-8(13)1-2-9(10)7-3-4-14-11(15)5-7/h1-2,6-7H,3-5,13H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one?
(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 124634526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).