1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine

C20H42N2O — CID 134488975

IUPAC1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
SMILESCC(C)(C)CCCN1CCN(CCCCCOC(C)(C)C)CC1
InChIInChI=1S/C20H42N2O/c1-19(2,3)11-10-13-22-16-14-21(15-17-22)12-8-7-9-18-23-20(4,5)6/h7-18H2,1-6H3
InChIKeyYJUFIJVYFRXBFY-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.42
Rot. Bonds9

About 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine

1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine (PubChem CID 134488975) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
PubChem CID134488975
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Name1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
SMILESCC(C)(C)CCCN1CCN(CCCCCOC(C)(C)C)CC1
InChIInChI=1S/C20H42N2O/c1-19(2,3)11-10-13-22-16-14-21(15-17-22)12-8-7-9-18-23-20(4,5)6/h7-18H2,1-6H3
InChIKeyYJUFIJVYFRXBFY-UHFFFAOYSA-N
XLogP4.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488979
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
CID 170390265
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
N-ethyl-2,2-difluoro-3-[4-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butoxy]propan-1-amine
CID 155215147
1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
CID 139545699
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
The IUPAC name of 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine (CID 134488975) is 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine is CC(C)(C)CCCN1CCN(CCCCCOC(C)(C)C)CC1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
The InChIKey is YJUFIJVYFRXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O/c1-19(2,3)11-10-13-22-16-14-21(15-17-22)12-8-7-9-18-23-20(4,5)6/h7-18H2,1-6H3.
What are the key properties of 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine has a molecular weight of 326.57 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine is sourced from PubChem (CID 134488975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).