5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine

C16H32N2 — CID 64876529

IUPAC5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
SMILESCCCCCCN1CC(C)(C2CC2)NCC1CC
InChIInChI=1S/C16H32N2/c1-4-6-7-8-11-18-13-16(3,14-9-10-14)17-12-15(18)5-2/h14-15,17H,4-13H2,1-3H3
InChIKeyIEZXSBFIIXJNEL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine

5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine (PubChem CID 64876529) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
PubChem CID64876529
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
SMILESCCCCCCN1CC(C)(C2CC2)NCC1CC
InChIInChI=1S/C16H32N2/c1-4-6-7-8-11-18-13-16(3,14-9-10-14)17-12-15(18)5-2/h14-15,17H,4-13H2,1-3H3
InChIKeyIEZXSBFIIXJNEL-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
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 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine (CID 64876529) is 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine is CCCCCCN1CC(C)(C2CC2)NCC1CC.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine?
The InChIKey is IEZXSBFIIXJNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-6-7-8-11-18-13-16(3,14-9-10-14)17-12-15(18)5-2/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine?
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine is sourced from PubChem (CID 64876529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).