1-tert-butyl-4-(7-methyloctyl)piperazine

C17H36N2 — CID 138467260

IUPAC1-tert-butyl-4-(7-methyloctyl)piperazine
SMILESCC(C)CCCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-16(2)10-8-6-7-9-11-18-12-14-19(15-13-18)17(3,4)5/h16H,6-15H2,1-5H3
InChIKeyCGRMBEWZZZKAGB-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.01
Rot. Bonds7

About 1-tert-butyl-4-(7-methyloctyl)piperazine

1-tert-butyl-4-(7-methyloctyl)piperazine (PubChem CID 138467260) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-tert-butyl-4-(7-methyloctyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(7-methyloctyl)piperazine
PubChem CID138467260
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-tert-butyl-4-(7-methyloctyl)piperazine
SMILESCC(C)CCCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-16(2)10-8-6-7-9-11-18-12-14-19(15-13-18)17(3,4)5/h16H,6-15H2,1-5H3
InChIKeyCGRMBEWZZZKAGB-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.01
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

5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine
CID 55072251
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
1-(8-methylnonyl)piperazine
CID 170614920
potassium 1-methanidyl-4-(5-methylhexyl)piperazine
CID 155750789
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
CID 164817602
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine
CID 172516835
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(7-methyloctyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(7-methyloctyl)piperazine (CID 138467260) is 1-tert-butyl-4-(7-methyloctyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(7-methyloctyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(7-methyloctyl)piperazine is CC(C)CCCCCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(7-methyloctyl)piperazine?
The InChIKey is CGRMBEWZZZKAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-16(2)10-8-6-7-9-11-18-12-14-19(15-13-18)17(3,4)5/h16H,6-15H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(7-methyloctyl)piperazine?
1-tert-butyl-4-(7-methyloctyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(7-methyloctyl)piperazine is sourced from PubChem (CID 138467260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).