(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone

C15H21FN2O — CID 62198513

IUPAC(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(F)ccc2N)CC1
InChIInChI=1S/C15H21FN2O/c1-2-3-11-6-8-18(9-7-11)15(19)13-10-12(16)4-5-14(13)17/h4-5,10-11H,2-3,6-9,17H2,1H3
InChIKeyQWTWKIIYMQTCLJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.06
Rot. Bonds3

About (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone

(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 62198513) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
PubChem CID62198513
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(F)ccc2N)CC1
InChIInChI=1S/C15H21FN2O/c1-2-3-11-6-8-18(9-7-11)15(19)13-10-12(16)4-5-14(13)17/h4-5,10-11H,2-3,6-9,17H2,1H3
InChIKeyQWTWKIIYMQTCLJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107120978
(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62199600
2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 79614807
(3-amino-2,5-difluorophenyl)-(4-propylazepan-1-yl)methanone
CID 107121117
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 102705488
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 81110133
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone (CID 62198513) is (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(F)ccc2N)CC1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is QWTWKIIYMQTCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-3-11-6-8-18(9-7-11)15(19)13-10-12(16)4-5-14(13)17/h4-5,10-11H,2-3,6-9,17H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone?
(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 264.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 62198513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).