(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone

C16H24N2O — CID 83053615

IUPAC(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1c(C)cccc1N
InChIInChI=1S/C16H24N2O/c1-3-7-13-9-4-5-11-18(13)16(19)15-12(2)8-6-10-14(15)17/h6,8,10,13H,3-5,7,9,11,17H2,1-2H3
InChIKeyJDWOYLZXOWBJKQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.37
Rot. Bonds3

About (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone

(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83053615) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83053615
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1c(C)cccc1N
InChIInChI=1S/C16H24N2O/c1-3-7-13-9-4-5-11-18(13)16(19)15-12(2)8-6-10-14(15)17/h6,8,10,13H,3-5,7,9,11,17H2,1-2H3
InChIKeyJDWOYLZXOWBJKQ-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.37
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

(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053205
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61110649
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766
(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052263
(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 81420836
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(2-amino-6-methoxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81420870

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone (CID 83053615) is (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1c(C)cccc1N.
What is the InChIKey of (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is JDWOYLZXOWBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-7-13-9-4-5-11-18(13)16(19)15-12(2)8-6-10-14(15)17/h6,8,10,13H,3-5,7,9,11,17H2,1-2H3.
What are the key properties of (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone?
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 260.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83053615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).