1-butyl-4-(5-ethoxypentyl)piperazine

C15H32N2O — CID 142365630

IUPAC1-butyl-4-(5-ethoxypentyl)piperazine
SMILESCCCCN1CCN(CCCCCOCC)CC1
InChIInChI=1S/C15H32N2O/c1-3-5-9-16-11-13-17(14-12-16)10-7-6-8-15-18-4-2/h3-15H2,1-2H3
InChIKeyAQRQPLZCEHQBIO-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.61
Rot. Bonds10

About 1-butyl-4-(5-ethoxypentyl)piperazine

1-butyl-4-(5-ethoxypentyl)piperazine (PubChem CID 142365630) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-butyl-4-(5-ethoxypentyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(5-ethoxypentyl)piperazine
PubChem CID142365630
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-butyl-4-(5-ethoxypentyl)piperazine
SMILESCCCCN1CCN(CCCCCOCC)CC1
InChIInChI=1S/C15H32N2O/c1-3-5-9-16-11-13-17(14-12-16)10-7-6-8-15-18-4-2/h3-15H2,1-2H3
InChIKeyAQRQPLZCEHQBIO-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
1-(6-ethoxyhexyl)-3-methylimidazolidine
CID 140684108
4-(4-ethoxybutyl)morpholine
CID 10726253
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5-ethoxypentyl)piperazine?
The IUPAC name of 1-butyl-4-(5-ethoxypentyl)piperazine (CID 142365630) is 1-butyl-4-(5-ethoxypentyl)piperazine.
What is the SMILES notation for 1-butyl-4-(5-ethoxypentyl)piperazine?
The canonical SMILES for 1-butyl-4-(5-ethoxypentyl)piperazine is CCCCN1CCN(CCCCCOCC)CC1.
What is the InChIKey of 1-butyl-4-(5-ethoxypentyl)piperazine?
The InChIKey is AQRQPLZCEHQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-5-9-16-11-13-17(14-12-16)10-7-6-8-15-18-4-2/h3-15H2,1-2H3.
What are the key properties of 1-butyl-4-(5-ethoxypentyl)piperazine?
1-butyl-4-(5-ethoxypentyl)piperazine has a molecular weight of 256.43 g/mol, XLogP of 2.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5-ethoxypentyl)piperazine is sourced from PubChem (CID 142365630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).