5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine

C18H36N2 — CID 64860145

IUPAC5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(C2CC2)NCC1(C)CC
InChIInChI=1S/C18H36N2/c1-4-6-7-8-9-10-13-20-14-17(16-11-12-16)19-15-18(20,3)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyIJXKKANLNFQBOS-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds9

About 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine

5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine (PubChem CID 64860145) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
PubChem CID64860145
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(C2CC2)NCC1(C)CC
InChIInChI=1S/C18H36N2/c1-4-6-7-8-9-10-13-20-14-17(16-11-12-16)19-15-18(20,3)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyIJXKKANLNFQBOS-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
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

5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine
CID 113474592
5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
CID 64861163
5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106733294
5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64842828
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
1-butyl-5-cyclohexyl-2,2-dimethylpiperazine
CID 64861711
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491173
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine (CID 64860145) is 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine is CCCCCCCCN1CC(C2CC2)NCC1(C)CC.
What is the InChIKey of 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine?
The InChIKey is IJXKKANLNFQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-6-7-8-9-10-13-20-14-17(16-11-12-16)19-15-18(20,3)5-2/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine?
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine is sourced from PubChem (CID 64860145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).