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

C17H26N2O — CID 102705488

IUPAC(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(N)c(C)cc2C)CC1
InChIInChI=1S/C17H26N2O/c1-4-5-14-6-8-19(9-7-14)17(20)15-11-16(18)13(3)10-12(15)2/h10-11,14H,4-9,18H2,1-3H3
InChIKeyLIRFWPBAUWLJJR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.54
Rot. Bonds3

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

(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 102705488) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
PubChem CID102705488
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(N)c(C)cc2C)CC1
InChIInChI=1S/C17H26N2O/c1-4-5-14-6-8-19(9-7-14)17(20)15-11-16(18)13(3)10-12(15)2/h10-11,14H,4-9,18H2,1-3H3
InChIKeyLIRFWPBAUWLJJR-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.54
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
(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62199600
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825
(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107120978
methyl 1-(5-amino-2,4-dimethylbenzoyl)piperidine-4-carboxylate
CID 102705142
(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 81110133
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090
(3-amino-2,5-difluorophenyl)-(4-propylazepan-1-yl)methanone
CID 107121117
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
(2-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243173
(5-amino-2,3-dichlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107185271

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone (CID 102705488) is (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(N)c(C)cc2C)CC1.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is LIRFWPBAUWLJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-5-14-6-8-19(9-7-14)17(20)15-11-16(18)13(3)10-12(15)2/h10-11,14H,4-9,18H2,1-3H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone?
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 102705488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).