5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile

C13H25N3O — CID 56778759

IUPAC5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile
SMILESCCOCCN1CCN(CCCCC#N)CC1
InChIInChI=1S/C13H25N3O/c1-2-17-13-12-16-10-8-15(9-11-16)7-5-3-4-6-14/h2-5,7-13H2,1H3
InChIKeyDFEJMUGEBCYYCO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.33
Rot. Bonds8

About 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile

5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile (PubChem CID 56778759) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile
PubChem CID56778759
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile
SMILESCCOCCN1CCN(CCCCC#N)CC1
InChIInChI=1S/C13H25N3O/c1-2-17-13-12-16-10-8-15(9-11-16)7-5-3-4-6-14/h2-5,7-13H2,1H3
InChIKeyDFEJMUGEBCYYCO-UHFFFAOYSA-N
XLogP1.33
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 60688742
5-(azocan-1-yl)pentanenitrile
CID 60688798
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
1-(2-ethoxyethyl)piperidine
CID 22622871
3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
CID 94254427
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile (CID 56778759) is 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile is CCOCCN1CCN(CCCCC#N)CC1.
What is the InChIKey of 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile?
The InChIKey is DFEJMUGEBCYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-17-13-12-16-10-8-15(9-11-16)7-5-3-4-6-14/h2-5,7-13H2,1H3.
What are the key properties of 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile?
5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 56778759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).