bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine

C43H75N5 — CID 167649681

IUPACbis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine
SMILESCCN1CCC(C)CC1.CCN1CCC(C)CC1.CCc1ccc(C2CCN(C)CC2)cc1.CCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N.C13H20N2.2C8H17N/c1-3-12-4-6-13(7-5-12)14-8-10-15(2)11-9-14;1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;2*1-3-9-6-4-8(2)5-7-9/h4-7,14H,3,8-11H2,1-2H3;4-7H,3,8-11H2,1-2H3;2*8H,3-7H2,1-2H3
InChIKeyQJUMUIVCGLGIHK-UHFFFAOYSA-N
MW662.11 g/mol
LogP8.54
Rot. Bonds6

About bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine

bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine (PubChem CID 167649681) has the molecular formula C43H75N5 and a molecular weight of 662.11 g/mol. Its IUPAC name is bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine.

Molecular Properties

Compound Namebis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine
PubChem CID167649681
Molecular FormulaC43H75N5
Molecular Weight662.11 g/mol
Exact Mass661.60
IUPAC Namebis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine
SMILESCCN1CCC(C)CC1.CCN1CCC(C)CC1.CCc1ccc(C2CCN(C)CC2)cc1.CCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N.C13H20N2.2C8H17N/c1-3-12-4-6-13(7-5-12)14-8-10-15(2)11-9-14;1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;2*1-3-9-6-4-8(2)5-7-9/h4-7,14H,3,8-11H2,1-2H3;4-7H,3,8-11H2,1-2H3;2*8H,3-7H2,1-2H3
InChIKeyQJUMUIVCGLGIHK-UHFFFAOYSA-N
XLogP8.54
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.11
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167698889
1,4-dimethylcyclohexane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167566334
1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene
CID 167661867
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
1-(4-ethylphenyl)-4-(4-methoxyphenyl)piperidine
CID 166657002
1-(4-cyclohexylphenyl)-4-methylpiperazine
CID 142618423
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile
CID 82128350
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338

Frequently Asked Questions

What is the IUPAC name of bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine?
The IUPAC name of bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine (CID 167649681) is bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine.
What is the SMILES notation for bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine?
The canonical SMILES for bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine is CCN1CCC(C)CC1.CCN1CCC(C)CC1.CCc1ccc(C2CCN(C)CC2)cc1.CCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine?
The InChIKey is QJUMUIVCGLGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H20N2.2C8H17N/c1-3-12-4-6-13(7-5-12)14-8-10-15(2)11-9-14;1-3-12-4-6-13(7-5-12)15-10-8-14(2)9-11-15;2*1-3-9-6-4-8(2)5-7-9/h4-7,14H,3,8-11H2,1-2H3;4-7H,3,8-11H2,1-2H3;2*8H,3-7H2,1-2H3.
What are the key properties of bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine?
bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine has a molecular weight of 662.11 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine is sourced from PubChem (CID 167649681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).