1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine

C28H45N3 — CID 143598802

IUPAC1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine
SMILESC=C(CC#CC)NC1CCCCC1.CCc1ccc(N2CCN(CC)CC2)c(CC)c1
InChIInChI=1S/C16H26N2.C12H19N/c1-4-14-7-8-16(15(5-2)13-14)18-11-9-17(6-3)10-12-18;1-3-4-8-11(2)13-12-9-6-5-7-10-12/h7-8,13H,4-6,9-12H2,1-3H3;12-13H,2,5-10H2,1H3
InChIKeyKPYNIDULXXUAST-UHFFFAOYSA-N
MW423.69 g/mol
LogP5.79
Rot. Bonds7

About 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine

1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine (PubChem CID 143598802) has the molecular formula C28H45N3 and a molecular weight of 423.69 g/mol. Its IUPAC name is 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine.

Molecular Properties

Compound Name1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine
PubChem CID143598802
Molecular FormulaC28H45N3
Molecular Weight423.69 g/mol
Exact Mass423.36
IUPAC Name1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine
SMILESC=C(CC#CC)NC1CCCCC1.CCc1ccc(N2CCN(CC)CC2)c(CC)c1
InChIInChI=1S/C16H26N2.C12H19N/c1-4-14-7-8-16(15(5-2)13-14)18-11-9-17(6-3)10-12-18;1-3-4-8-11(2)13-12-9-6-5-7-10-12/h7-8,13H,4-6,9-12H2,1-3H3;12-13H,2,5-10H2,1H3
InChIKeyKPYNIDULXXUAST-UHFFFAOYSA-N
XLogP5.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide
CID 143598704
1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea
CID 171492454
tert-butyl N-cyclohexylcarbamate;1-(2-chloro-3-ethylphenyl)-4-ethylpiperazine
CID 171492412
1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652749
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46503358
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
CID 82121266
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
CID 119426574
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
CID 65074416
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960902

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine?
The IUPAC name of 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine (CID 143598802) is 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine.
What is the SMILES notation for 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine?
The canonical SMILES for 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine is C=C(CC#CC)NC1CCCCC1.CCc1ccc(N2CCN(CC)CC2)c(CC)c1.
What is the InChIKey of 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine?
The InChIKey is KPYNIDULXXUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C12H19N/c1-4-14-7-8-16(15(5-2)13-14)18-11-9-17(6-3)10-12-18;1-3-4-8-11(2)13-12-9-6-5-7-10-12/h7-8,13H,4-6,9-12H2,1-3H3;12-13H,2,5-10H2,1H3.
What are the key properties of 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine?
1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine has a molecular weight of 423.69 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine is sourced from PubChem (CID 143598802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).