1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone

C15H22N2O — CID 79880159

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(N)C(C)C2)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-13(8-11)9-15(18)17-7-6-14(16)12(2)10-17/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3
InChIKeyGPMMDGDAQUJFQH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.73
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone

1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone (PubChem CID 79880159) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
PubChem CID79880159
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(N)C(C)C2)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-13(8-11)9-15(18)17-7-6-14(16)12(2)10-17/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3
InChIKeyGPMMDGDAQUJFQH-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone (CID 79880159) is 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCC(N)C(C)C2)c1.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is GPMMDGDAQUJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-3-5-13(8-11)9-15(18)17-7-6-14(16)12(2)10-17/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone?
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 79880159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).