(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

C18H19FN2O2 — CID 119945105

IUPAC(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O2/c19-13-5-7-14(8-6-13)23-15-9-11-21(12-10-15)18(22)16-3-1-2-4-17(16)20/h1-8,15H,9-12,20H2
InChIKeyLRGDAUPHAQCCJE-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.09
Rot. Bonds3

About (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 119945105) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID119945105
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O2/c19-13-5-7-14(8-6-13)23-15-9-11-21(12-10-15)18(22)16-3-1-2-4-17(16)20/h1-8,15H,9-12,20H2
InChIKeyLRGDAUPHAQCCJE-UHFFFAOYSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119133482
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119945352
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (CID 119945105) is (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is Nc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is LRGDAUPHAQCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-13-5-7-14(8-6-13)23-15-9-11-21(12-10-15)18(22)16-3-1-2-4-17(16)20/h1-8,15H,9-12,20H2.
What are the key properties of (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 314.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 119945105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).