1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine

C19H32N2 — CID 64930058

IUPAC1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCCc1ccc(N2CC(CC(C)C)NCC2C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-16-7-9-18(10-8-16)21-13-17(11-14(2)3)20-12-19(21)15(4)5/h7-10,14-15,17,19-20H,6,11-13H2,1-5H3
InChIKeyLGZYHWNMSGMZQO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.10
Rot. Bonds5

About 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine

1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine (PubChem CID 64930058) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
PubChem CID64930058
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCCc1ccc(N2CC(CC(C)C)NCC2C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-16-7-9-18(10-8-16)21-13-17(11-14(2)3)20-12-19(21)15(4)5/h7-10,14-15,17,19-20H,6,11-13H2,1-5H3
InChIKeyLGZYHWNMSGMZQO-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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-bromo-4-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64940242
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104781751
1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930366
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(4-tert-butylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64932942
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125
5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
CID 64931417
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine
CID 64930588

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine (CID 64930058) is 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine is CCc1ccc(N2CC(CC(C)C)NCC2C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is LGZYHWNMSGMZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-16-7-9-18(10-8-16)21-13-17(11-14(2)3)20-12-19(21)15(4)5/h7-10,14-15,17,19-20H,6,11-13H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64930058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).