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

C17H36N2 — CID 107818414

IUPAC3,3-diethyl-1-(7-methyloctyl)piperazine
SMILESCCC1(CC)CN(CCCCCCC(C)C)CCN1
InChIInChI=1S/C17H36N2/c1-5-17(6-2)15-19(14-12-18-17)13-10-8-7-9-11-16(3)4/h16,18H,5-15H2,1-4H3
InChIKeyRKBBKUDMYYEFNA-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

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

3,3-diethyl-1-(7-methyloctyl)piperazine (PubChem CID 107818414) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3,3-diethyl-1-(7-methyloctyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(7-methyloctyl)piperazine
PubChem CID107818414
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3,3-diethyl-1-(7-methyloctyl)piperazine
SMILESCCC1(CC)CN(CCCCCCC(C)C)CCN1
InChIInChI=1S/C17H36N2/c1-5-17(6-2)15-19(14-12-18-17)13-10-8-7-9-11-16(3)4/h16,18H,5-15H2,1-4H3
InChIKeyRKBBKUDMYYEFNA-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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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Related Compounds

3,3-diethyl-1-(4-methylpentyl)piperazine
CID 64953195
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327082
3,3-diethyl-1-(3-methylbutyl)piperazine
CID 64833456
3,3-dimethyl-1-(7-methyloctyl)piperazine
CID 107818461
3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008742
3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane
CID 64871531
1-(8-methylnonyl)piperazine
CID 170614920
3,3-diethyl-1-(4-phenylbutyl)piperazine
CID 114334897
1-(2,3-dimethylbutyl)-3,3-diethylpiperazine
CID 64952652
3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79350271
3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
CID 64952596
1-[2-(3,3-diethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907965

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(7-methyloctyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(7-methyloctyl)piperazine (CID 107818414) is 3,3-diethyl-1-(7-methyloctyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(7-methyloctyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(7-methyloctyl)piperazine is CCC1(CC)CN(CCCCCCC(C)C)CCN1.
What is the InChIKey of 3,3-diethyl-1-(7-methyloctyl)piperazine?
The InChIKey is RKBBKUDMYYEFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-17(6-2)15-19(14-12-18-17)13-10-8-7-9-11-16(3)4/h16,18H,5-15H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(7-methyloctyl)piperazine?
3,3-diethyl-1-(7-methyloctyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(7-methyloctyl)piperazine is sourced from PubChem (CID 107818414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).