1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine

C15H24N2 — CID 54975874

IUPAC1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine
SMILESCCc1ccc(N2CCC(NC)CC2C)cc1
InChIInChI=1S/C15H24N2/c1-4-13-5-7-15(8-6-13)17-10-9-14(16-3)11-12(17)2/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyVBRDPXMQVWORLA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.83
Rot. Bonds3

About 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine

1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine (PubChem CID 54975874) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine
PubChem CID54975874
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine
SMILESCCc1ccc(N2CCC(NC)CC2C)cc1
InChIInChI=1S/C15H24N2/c1-4-13-5-7-15(8-6-13)17-10-9-14(16-3)11-12(17)2/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyVBRDPXMQVWORLA-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine (CID 54975874) is 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine is CCc1ccc(N2CCC(NC)CC2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine?
The InChIKey is VBRDPXMQVWORLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-13-5-7-15(8-6-13)17-10-9-14(16-3)11-12(17)2/h5-8,12,14,16H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine?
1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 54975874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).