5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine

C18H36N2 — CID 64948368

IUPAC5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine
SMILESCCCCCCC(C)N1CC(C)(C2CC2)NCC1CC
InChIInChI=1S/C18H36N2/c1-5-7-8-9-10-15(3)20-14-18(4,16-11-12-16)19-13-17(20)6-2/h15-17,19H,5-14H2,1-4H3
InChIKeyMHINGYYBZGNRNK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds8

About 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine

5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine (PubChem CID 64948368) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine
PubChem CID64948368
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine
SMILESCCCCCCC(C)N1CC(C)(C2CC2)NCC1CC
InChIInChI=1S/C18H36N2/c1-5-7-8-9-10-15(3)20-14-18(4,16-11-12-16)19-13-17(20)6-2/h15-17,19H,5-14H2,1-4H3
InChIKeyMHINGYYBZGNRNK-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946256
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529
5-cyclopropyl-5-methyl-1-pentan-2-yl-2-propan-2-ylpiperazine
CID 64932384
2-ethyl-5,5-dimethyl-1-pentan-2-ylpiperazine
CID 64931991
5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
CID 64932001
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
5-cyclopropyl-2-ethyl-5-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64935896
8-ethyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane
CID 64930793
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64936101
5-cyclopropyl-2-ethyl-5-methyl-1-(1-pyridin-3-ylethyl)piperazine
CID 64934546
5-cyclopropyl-2,5-dimethyl-1-propan-2-ylpiperazine
CID 64875943
2-ethyl-1-hexan-2-ylaziridine
CID 167041728

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine (CID 64948368) is 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine is CCCCCCC(C)N1CC(C)(C2CC2)NCC1CC.
What is the InChIKey of 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine?
The InChIKey is MHINGYYBZGNRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-7-8-9-10-15(3)20-14-18(4,16-11-12-16)19-13-17(20)6-2/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine?
5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine is sourced from PubChem (CID 64948368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).