[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone

C17H26N2O — CID 114596549

IUPAC[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C17H26N2O/c1-5-18-16-8-6-15(7-9-16)17(20)19-11-12(2)10-13(3)14(19)4/h6-9,12-14,18H,5,10-11H2,1-4H3
InChIKeyPAIZREIIGFHJGT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.62
Rot. Bonds3

About [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone

[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114596549) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114596549
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C17H26N2O/c1-5-18-16-8-6-15(7-9-16)17(20)19-11-12(2)10-13(3)14(19)4/h6-9,12-14,18H,5,10-11H2,1-4H3
InChIKeyPAIZREIIGFHJGT-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114596549) is [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone is CCNc1ccc(C(=O)N2CC(C)CC(C)C2C)cc1.
What is the InChIKey of [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is PAIZREIIGFHJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-18-16-8-6-15(7-9-16)17(20)19-11-12(2)10-13(3)14(19)4/h6-9,12-14,18H,5,10-11H2,1-4H3.
What are the key properties of [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114596549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).