(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone

C15H20F2N2O — CID 62199600

IUPAC(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(F)c(F)cc2N)CC1
InChIInChI=1S/C15H20F2N2O/c1-2-3-10-4-6-19(7-5-10)15(20)11-8-12(16)13(17)9-14(11)18/h8-10H,2-7,18H2,1H3
InChIKeyLJTNLIGSJAXJGG-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.20
Rot. Bonds3

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

(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 62199600) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
PubChem CID62199600
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(F)c(F)cc2N)CC1
InChIInChI=1S/C15H20F2N2O/c1-2-3-10-4-6-19(7-5-10)15(20)11-8-12(16)13(17)9-14(11)18/h8-10H,2-7,18H2,1H3
InChIKeyLJTNLIGSJAXJGG-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.20
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

(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62198513
(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107120978
(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091602
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 102705488
(3-amino-2,5-difluorophenyl)-(4-propylazepan-1-yl)methanone
CID 107121117
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(2-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243173
(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 81110133
(5-amino-2,3-dichlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107185271
(3-amino-2-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 115930560

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone (CID 62199600) is (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(F)c(F)cc2N)CC1.
What is the InChIKey of (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is LJTNLIGSJAXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-3-10-4-6-19(7-5-10)15(20)11-8-12(16)13(17)9-14(11)18/h8-10H,2-7,18H2,1H3.
What are the key properties of (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone?
(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 62199600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).