1-(2-octoxyphenyl)piperazine

C18H30N2O — CID 63461603

IUPAC1-(2-octoxyphenyl)piperazine
SMILESCCCCCCCCOc1ccccc1N1CCNCC1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-9-16-21-18-11-8-7-10-17(18)20-14-12-19-13-15-20/h7-8,10-11,19H,2-6,9,12-16H2,1H3
InChIKeyUZENRXQQRJBDEX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.84
Rot. Bonds9

About 1-(2-octoxyphenyl)piperazine

1-(2-octoxyphenyl)piperazine (PubChem CID 63461603) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2-octoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-octoxyphenyl)piperazine
PubChem CID63461603
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2-octoxyphenyl)piperazine
SMILESCCCCCCCCOc1ccccc1N1CCNCC1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-9-16-21-18-11-8-7-10-17(18)20-14-12-19-13-15-20/h7-8,10-11,19H,2-6,9,12-16H2,1H3
InChIKeyUZENRXQQRJBDEX-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
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-(2-ethoxyphenyl)piperazine
CID 142040905
1-(2-butoxyphenyl)pyrrolidine
CID 154391189
1-[2-(3-ethoxypropoxy)phenyl]-1,4-diazepane
CID 65181009
2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide
CID 117067034
4-(2-piperazin-1-ylphenoxy)butanenitrile
CID 114284674
1-(4-hexoxy-3-methylphenyl)piperazine
CID 63214255
2-[3-[4-(2-hexoxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-diol
CID 91375367
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
CID 115943307
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
CID 114284672
1-(2-butoxyphenyl)piperazin-2-one
CID 70120248
1-(2-butylphenyl)piperazine
CID 14479835

Frequently Asked Questions

What is the IUPAC name of 1-(2-octoxyphenyl)piperazine?
The IUPAC name of 1-(2-octoxyphenyl)piperazine (CID 63461603) is 1-(2-octoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-octoxyphenyl)piperazine?
The canonical SMILES for 1-(2-octoxyphenyl)piperazine is CCCCCCCCOc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-octoxyphenyl)piperazine?
The InChIKey is UZENRXQQRJBDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-4-5-6-9-16-21-18-11-8-7-10-17(18)20-14-12-19-13-15-20/h7-8,10-11,19H,2-6,9,12-16H2,1H3.
What are the key properties of 1-(2-octoxyphenyl)piperazine?
1-(2-octoxyphenyl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octoxyphenyl)piperazine is sourced from PubChem (CID 63461603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).