1-(4-amino-3-methylphenyl)piperidin-4-one

C12H16N2O — CID 58962442

IUPAC1-(4-amino-3-methylphenyl)piperidin-4-one
SMILESCc1cc(N2CCC(=O)CC2)ccc1N
InChIInChI=1S/C12H16N2O/c1-9-8-10(2-3-12(9)13)14-6-4-11(15)5-7-14/h2-3,8H,4-7,13H2,1H3
InChIKeyHDUIAKVSNFGCQR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.75
Rot. Bonds1

About 1-(4-amino-3-methylphenyl)piperidin-4-one

1-(4-amino-3-methylphenyl)piperidin-4-one (PubChem CID 58962442) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)piperidin-4-one
PubChem CID58962442
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-amino-3-methylphenyl)piperidin-4-one
SMILESCc1cc(N2CCC(=O)CC2)ccc1N
InChIInChI=1S/C12H16N2O/c1-9-8-10(2-3-12(9)13)14-6-4-11(15)5-7-14/h2-3,8H,4-7,13H2,1H3
InChIKeyHDUIAKVSNFGCQR-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenyl)piperidin-4-one?
The IUPAC name of 1-(4-amino-3-methylphenyl)piperidin-4-one (CID 58962442) is 1-(4-amino-3-methylphenyl)piperidin-4-one.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)piperidin-4-one?
The canonical SMILES for 1-(4-amino-3-methylphenyl)piperidin-4-one is Cc1cc(N2CCC(=O)CC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methylphenyl)piperidin-4-one?
The InChIKey is HDUIAKVSNFGCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-8-10(2-3-12(9)13)14-6-4-11(15)5-7-14/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 1-(4-amino-3-methylphenyl)piperidin-4-one?
1-(4-amino-3-methylphenyl)piperidin-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenyl)piperidin-4-one is sourced from PubChem (CID 58962442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).