5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine

C19H32N2 — CID 64931417

IUPAC5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
SMILESCCc1ccc(N2CC(CC)(CC)NCC2C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-16-9-11-17(12-10-16)21-14-19(7-2,8-3)20-13-18(21)15(4)5/h9-12,15,18,20H,6-8,13-14H2,1-5H3
InChIKeyUUYHSFFPKKPOFV-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds5

About 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine

5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine (PubChem CID 64931417) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
PubChem CID64931417
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
SMILESCCc1ccc(N2CC(CC)(CC)NCC2C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-16-9-11-17(12-10-16)21-14-19(7-2,8-3)20-13-18(21)15(4)5/h9-12,15,18,20H,6-8,13-14H2,1-5H3
InChIKeyUUYHSFFPKKPOFV-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
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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Related Compounds

1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64933707
1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64934872
1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 66255685
2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64930564
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64930058
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64942138
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64933858
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64931009

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine (CID 64931417) is 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine is CCc1ccc(N2CC(CC)(CC)NCC2C(C)C)cc1.
What is the InChIKey of 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine?
The InChIKey is UUYHSFFPKKPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-16-9-11-17(12-10-16)21-14-19(7-2,8-3)20-13-18(21)15(4)5/h9-12,15,18,20H,6-8,13-14H2,1-5H3.
What are the key properties of 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine?
5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64931417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).