(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone

C15H20F2N2O — CID 83053205

IUPAC(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C15H20F2N2O/c1-2-5-10-6-3-4-9-19(10)15(20)13-11(16)7-8-12(18)14(13)17/h7-8,10H,2-6,9,18H2,1H3
InChIKeyXLIFVNLIKJWJKI-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.34
Rot. Bonds3

About (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone

(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83053205) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83053205
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C15H20F2N2O/c1-2-5-10-6-3-4-9-19(10)15(20)13-11(16)7-8-12(18)14(13)17/h7-8,10H,2-6,9,18H2,1H3
InChIKeyXLIFVNLIKJWJKI-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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

(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 79772878
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 79758114
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
[2-(aminomethyl)azepan-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116640075
(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107033947
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052263
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2,6-difluoro-3-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 82815937
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone (CID 83053205) is (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is XLIFVNLIKJWJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-5-10-6-3-4-9-19(10)15(20)13-11(16)7-8-12(18)14(13)17/h7-8,10H,2-6,9,18H2,1H3.
What are the key properties of (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone?
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83053205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).