3,3-dimethyl-1-(7-methyloctyl)piperazine

C15H32N2 — CID 107818461

IUPAC3,3-dimethyl-1-(7-methyloctyl)piperazine
SMILESCC(C)CCCCCCN1CCNC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-14(2)9-7-5-6-8-11-17-12-10-16-15(3,4)13-17/h14,16H,5-13H2,1-4H3
InChIKeyWEMXWJSWPZTEEB-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds7

About 3,3-dimethyl-1-(7-methyloctyl)piperazine

3,3-dimethyl-1-(7-methyloctyl)piperazine (PubChem CID 107818461) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-(7-methyloctyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(7-methyloctyl)piperazine
PubChem CID107818461
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3,3-dimethyl-1-(7-methyloctyl)piperazine
SMILESCC(C)CCCCCCN1CCNC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-14(2)9-7-5-6-8-11-17-12-10-16-15(3,4)13-17/h14,16H,5-13H2,1-4H3
InChIKeyWEMXWJSWPZTEEB-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(7-methyloctyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(7-methyloctyl)piperazine (CID 107818461) is 3,3-dimethyl-1-(7-methyloctyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(7-methyloctyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(7-methyloctyl)piperazine is CC(C)CCCCCCN1CCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(7-methyloctyl)piperazine?
The InChIKey is WEMXWJSWPZTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)9-7-5-6-8-11-17-12-10-16-15(3,4)13-17/h14,16H,5-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(7-methyloctyl)piperazine?
3,3-dimethyl-1-(7-methyloctyl)piperazine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(7-methyloctyl)piperazine is sourced from PubChem (CID 107818461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).