(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone

C12H15FN2O — CID 39245269

IUPAC(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c13-10-5-4-9(8-11(10)14)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2
InChIKeyASOYSRUSMVETKV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.03
Rot. Bonds1

About (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone

(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone (PubChem CID 39245269) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
PubChem CID39245269
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c13-10-5-4-9(8-11(10)14)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2
InChIKeyASOYSRUSMVETKV-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.03
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

1-[4-(3-amino-4-fluorobenzoyl)piperazin-1-yl]-2-(azepan-1-yl)propan-1-one
CID 167801819
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
[3-amino-4-(methylamino)phenyl]-piperidin-1-ylmethanone
CID 154253813
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3-amino-4-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62773614
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone (CID 39245269) is (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone is Nc1cc(C(=O)N2CCCCC2)ccc1F.
What is the InChIKey of (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone?
The InChIKey is ASOYSRUSMVETKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-5-4-9(8-11(10)14)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2.
What are the key properties of (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone?
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone has a molecular weight of 222.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 39245269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).