(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone

C18H28N2O — CID 62179529

IUPAC(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
SMILESCCNc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-5-19-16-8-6-14(7-9-16)17(21)20-12-10-15(11-13-20)18(2,3)4/h6-9,15,19H,5,10-13H2,1-4H3
InChIKeyWABWCNDMZNXVGM-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.02
Rot. Bonds3

About (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone

(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone (PubChem CID 62179529) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
PubChem CID62179529
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
SMILESCCNc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-5-19-16-8-6-14(7-9-16)17(21)20-12-10-15(11-13-20)18(2,3)4/h6-9,15,19H,5,10-13H2,1-4H3
InChIKeyWABWCNDMZNXVGM-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446
(4-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243172

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone (CID 62179529) is (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone is CCNc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone?
The InChIKey is WABWCNDMZNXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-19-16-8-6-14(7-9-16)17(21)20-12-10-15(11-13-20)18(2,3)4/h6-9,15,19H,5,10-13H2,1-4H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone?
(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone has a molecular weight of 288.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone is sourced from PubChem (CID 62179529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).