(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone

C12H14F2N2O — CID 63187366

IUPAC(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
SMILESNc1c(F)cc(C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C12H14F2N2O/c13-9-6-8(7-10(14)11(9)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5,15H2
InChIKeyVSTHRFLDANNXAN-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.17
Rot. Bonds1

About (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone

(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone (PubChem CID 63187366) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
PubChem CID63187366
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
SMILESNc1c(F)cc(C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C12H14F2N2O/c13-9-6-8(7-10(14)11(9)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5,15H2
InChIKeyVSTHRFLDANNXAN-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(4-amino-3,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 63186086
(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 172647132
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol
CID 143923093
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
CID 156548712
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone (CID 63187366) is (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone is Nc1c(F)cc(C(=O)N2CCCCC2)cc1F.
What is the InChIKey of (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone?
The InChIKey is VSTHRFLDANNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-6-8(7-10(14)11(9)15)12(17)16-4-2-1-3-5-16/h6-7H,1-5,15H2.
What are the key properties of (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone?
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone has a molecular weight of 240.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 63187366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).