butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine

C23H48N2 — CID 143709843

IUPACbutane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
SMILESCC.CC.CC.CCCC.CCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C13H20N2.C4H10.3C2H6/c1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;1-3-4-2;3*1-2/h4-7H,3,8-11H2,1-2H3;3-4H2,1-2H3;3*1-2H3
InChIKeyMIYFENZQSUZWJF-UHFFFAOYSA-N
MW352.65 g/mol
LogP6.89
Rot. Bonds3

About butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine

butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine (PubChem CID 143709843) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Namebutane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
PubChem CID143709843
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Namebutane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
SMILESCC.CC.CC.CCCC.CCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C13H20N2.C4H10.3C2H6/c1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;1-3-4-2;3*1-2/h4-7H,3,8-11H2,1-2H3;3-4H2,1-2H3;3*1-2H3
InChIKeyMIYFENZQSUZWJF-UHFFFAOYSA-N
XLogP6.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
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

ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
4-(4-ethylphenyl)morpholine
CID 20576442
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
CID 135188571
bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine
CID 167649681

Frequently Asked Questions

What is the IUPAC name of butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine?
The IUPAC name of butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine (CID 143709843) is butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine.
What is the SMILES notation for butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine?
The canonical SMILES for butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine is CC.CC.CC.CCCC.CCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine?
The InChIKey is MIYFENZQSUZWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C4H10.3C2H6/c1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;1-3-4-2;3*1-2/h4-7H,3,8-11H2,1-2H3;3-4H2,1-2H3;3*1-2H3.
What are the key properties of butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine?
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine has a molecular weight of 352.65 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine is sourced from PubChem (CID 143709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).