(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone

C15H22N2O — CID 119945515

IUPAC(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-3-15(2)9-6-10-17(11-15)14(18)12-7-4-5-8-13(12)16/h4-5,7-8H,3,6,9-11,16H2,1-2H3
InChIKeyOCTYFGDRJZXTAZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds2

About (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone

(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone (PubChem CID 119945515) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
PubChem CID119945515
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-3-15(2)9-6-10-17(11-15)14(18)12-7-4-5-8-13(12)16/h4-5,7-8H,3,6,9-11,16H2,1-2H3
InChIKeyOCTYFGDRJZXTAZ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone (CID 119945515) is (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone is CCC1(C)CCCN(C(=O)c2ccccc2N)C1.
What is the InChIKey of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
The InChIKey is OCTYFGDRJZXTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(2)9-6-10-17(11-15)14(18)12-7-4-5-8-13(12)16/h4-5,7-8H,3,6,9-11,16H2,1-2H3.
What are the key properties of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 119945515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).