1-(8-methyldecyl)-4-propan-2-ylpiperazine

C18H38N2 — CID 171838375

IUPAC1-(8-methyldecyl)-4-propan-2-ylpiperazine
SMILESCCC(C)CCCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-5-18(4)11-9-7-6-8-10-12-19-13-15-20(16-14-19)17(2)3/h17-18H,5-16H2,1-4H3
InChIKeySSJVHRZTXROXIZ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.40
Rot. Bonds10

About 1-(8-methyldecyl)-4-propan-2-ylpiperazine

1-(8-methyldecyl)-4-propan-2-ylpiperazine (PubChem CID 171838375) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(8-methyldecyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(8-methyldecyl)-4-propan-2-ylpiperazine
PubChem CID171838375
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(8-methyldecyl)-4-propan-2-ylpiperazine
SMILESCCC(C)CCCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-5-18(4)11-9-7-6-8-10-12-19-13-15-20(16-14-19)17(2)3/h17-18H,5-16H2,1-4H3
InChIKeySSJVHRZTXROXIZ-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-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729440
ethane;4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729439
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine
CID 170569460
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 177178708
(1S,5R)-3-(5-methylheptyl)-8-octyl-3,8-diazabicyclo[3.2.1]octane
CID 170008963
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
CID 157204487
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyldecyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(8-methyldecyl)-4-propan-2-ylpiperazine (CID 171838375) is 1-(8-methyldecyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(8-methyldecyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(8-methyldecyl)-4-propan-2-ylpiperazine is CCC(C)CCCCCCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(8-methyldecyl)-4-propan-2-ylpiperazine?
The InChIKey is SSJVHRZTXROXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-18(4)11-9-7-6-8-10-12-19-13-15-20(16-14-19)17(2)3/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-(8-methyldecyl)-4-propan-2-ylpiperazine?
1-(8-methyldecyl)-4-propan-2-ylpiperazine 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-(8-methyldecyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 171838375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).