1-(2-butyl-2-methyloctyl)-4-methylpiperazine

C18H38N2 — CID 166898824

IUPAC1-(2-butyl-2-methyloctyl)-4-methylpiperazine
SMILESCCCCCCC(C)(CCCC)CN1CCN(C)CC1
InChIInChI=1S/C18H38N2/c1-5-7-9-10-12-18(3,11-8-6-2)17-20-15-13-19(4)14-16-20/h5-17H2,1-4H3
InChIKeyJFSYLSUWUIFXRU-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.40
Rot. Bonds10

About 1-(2-butyl-2-methyloctyl)-4-methylpiperazine

1-(2-butyl-2-methyloctyl)-4-methylpiperazine (PubChem CID 166898824) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(2-butyl-2-methyloctyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-butyl-2-methyloctyl)-4-methylpiperazine
PubChem CID166898824
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(2-butyl-2-methyloctyl)-4-methylpiperazine
SMILESCCCCCCC(C)(CCCC)CN1CCN(C)CC1
InChIInChI=1S/C18H38N2/c1-5-7-9-10-12-18(3,11-8-6-2)17-20-15-13-19(4)14-16-20/h5-17H2,1-4H3
InChIKeyJFSYLSUWUIFXRU-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-2-methylnonyl)-4-methylpiperazine
CID 155044538
1-(2,2-dimethyloctyl)-4-methylpiperazine
CID 167019238
1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458
5-butyl-5-methylpentadecane
CID 174700907
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
acetylene;1-methyl-4-octylpiperazine
CID 144712197
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
ethane;1-methyl-4-pentylpiperazine
CID 145099418
2-[[16-(2-hydroxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-methylhexadecan-1-ol
CID 122416773
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-2-methyloctyl)-4-methylpiperazine?
The IUPAC name of 1-(2-butyl-2-methyloctyl)-4-methylpiperazine (CID 166898824) is 1-(2-butyl-2-methyloctyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-butyl-2-methyloctyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-butyl-2-methyloctyl)-4-methylpiperazine is CCCCCCC(C)(CCCC)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-butyl-2-methyloctyl)-4-methylpiperazine?
The InChIKey is JFSYLSUWUIFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-7-9-10-12-18(3,11-8-6-2)17-20-15-13-19(4)14-16-20/h5-17H2,1-4H3.
What are the key properties of 1-(2-butyl-2-methyloctyl)-4-methylpiperazine?
1-(2-butyl-2-methyloctyl)-4-methylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-2-methyloctyl)-4-methylpiperazine is sourced from PubChem (CID 166898824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).