1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)

C43H68N6 — CID 158500114

IUPAC1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
SMILESCC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CCN1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H24N2.2C14H22N2/c1-4-16-9-11-17(12-10-16)15-7-5-14(6-8-15)13(2)3;2*1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16/h5-8,13H,4,9-12H2,1-3H3;2*4-7,12H,8-11H2,1-3H3
InChIKeyHJUAFSRWDXVAFE-UHFFFAOYSA-N
MW669.06 g/mol
LogP8.08
Rot. Bonds7

About 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)

1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine) (PubChem CID 158500114) has the molecular formula C43H68N6 and a molecular weight of 669.06 g/mol. Its IUPAC name is 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine).

Molecular Properties

Compound Name1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
PubChem CID158500114
Molecular FormulaC43H68N6
Molecular Weight669.06 g/mol
Exact Mass668.55
IUPAC Name1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
SMILESCC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CCN1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H24N2.2C14H22N2/c1-4-16-9-11-17(12-10-16)15-7-5-14(6-8-15)13(2)3;2*1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16/h5-8,13H,4,9-12H2,1-3H3;2*4-7,12H,8-11H2,1-3H3
InChIKeyHJUAFSRWDXVAFE-UHFFFAOYSA-N
XLogP8.08
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.06
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
1-ethyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563451
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
sodium 4-(4-ethylpiperazin-1-yl)benzenethiolate
CID 163265369
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110405212
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180
3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide
CID 83967856
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-methyl-4-(4-octan-4-ylphenyl)piperazine
CID 146185845

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)?
The IUPAC name of 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine) (CID 158500114) is 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine).
What is the SMILES notation for 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)?
The canonical SMILES for 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine) is CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CCN1CCN(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)?
The InChIKey is HJUAFSRWDXVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2C14H22N2/c1-4-16-9-11-17(12-10-16)15-7-5-14(6-8-15)13(2)3;2*1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16/h5-8,13H,4,9-12H2,1-3H3;2*4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)?
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine) has a molecular weight of 669.06 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine) is sourced from PubChem (CID 158500114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).