1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine

C16H34N2O — CID 138727344

IUPAC1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CCCOCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-15(2)6-5-12-19-13-11-17-7-9-18(10-8-17)14-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyDMWLSJNSVGSINC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.71
Rot. Bonds9

About 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine

1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine (PubChem CID 138727344) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
PubChem CID138727344
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CCCOCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-15(2)6-5-12-19-13-11-17-7-9-18(10-8-17)14-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyDMWLSJNSVGSINC-UHFFFAOYSA-N
XLogP2.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.71
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-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
ethane;1-[(4-ethylphenyl)methyl]-4-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 155740003
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine (CID 138727344) is 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine is CC(C)CCCOCCN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine?
The InChIKey is DMWLSJNSVGSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2)6-5-12-19-13-11-17-7-9-18(10-8-17)14-16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine?
1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 138727344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).