5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine

C16H32N2 — CID 115327094

IUPAC5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
SMILESCCC1CNC(C2CC2)CN1CCCCC(C)C
InChIInChI=1S/C16H32N2/c1-4-15-11-17-16(14-8-9-14)12-18(15)10-6-5-7-13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyRXTHLAPXDXEAEG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds7

About 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine

5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine (PubChem CID 115327094) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
PubChem CID115327094
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
SMILESCCC1CNC(C2CC2)CN1CCCCC(C)C
InChIInChI=1S/C16H32N2/c1-4-15-11-17-16(14-8-9-14)12-18(15)10-6-5-7-13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyRXTHLAPXDXEAEG-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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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Related Compounds

2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488302
5-cyclopropyl-1-(4-methylpentyl)-2-propan-2-ylpiperazine
CID 64941954
1-(2-cyclopentyloxyethyl)-5-cyclopropyl-2-ethylpiperazine
CID 64940447
5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
CID 106211701
5-cyclopropyl-2-ethyl-1-(3-methoxy-2-methylpropyl)piperazine
CID 64946387
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
5-cyclohexyl-1-(2-cyclopentylethyl)-2-ethylpiperazine
CID 64935138
5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 64946186
5-cyclopropyl-2-ethyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129860
2,5-dicyclopropyl-1-pentylpiperazine
CID 64859934

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine (CID 115327094) is 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine is CCC1CNC(C2CC2)CN1CCCCC(C)C.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine?
The InChIKey is RXTHLAPXDXEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-15-11-17-16(14-8-9-14)12-18(15)10-6-5-7-13(2)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine?
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine has a molecular weight of 252.45 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 5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine is sourced from PubChem (CID 115327094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).