1-[2-(3-methylbut-2-enoxy)phenyl]piperazine

C15H22N2O — CID 114284672

IUPAC1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
SMILESCC(C)=CCOc1ccccc1N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-13(2)7-12-18-15-6-4-3-5-14(15)17-10-8-16-9-11-17/h3-7,16H,8-12H2,1-2H3
InChIKeyFEGXRMOHVMBTQM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine

1-[2-(3-methylbut-2-enoxy)phenyl]piperazine (PubChem CID 114284672) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
PubChem CID114284672
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
SMILESCC(C)=CCOc1ccccc1N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-13(2)7-12-18-15-6-4-3-5-14(15)17-10-8-16-9-11-17/h3-7,16H,8-12H2,1-2H3
InChIKeyFEGXRMOHVMBTQM-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 142040905
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CID 63461603
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
1-[2-(3-ethoxypropoxy)phenyl]-1,4-diazepane
CID 65181009
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine
CID 173335330
4-(2-piperazin-1-ylphenoxy)butanenitrile
CID 114284674
1-[2-(2-methylbutoxy)phenyl]-1,4-diazepane
CID 55037049
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
CID 115943307
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]piperazine
CID 103137197
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine?
The IUPAC name of 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine (CID 114284672) is 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine is CC(C)=CCOc1ccccc1N1CCNCC1.
What is the InChIKey of 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine?
The InChIKey is FEGXRMOHVMBTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(2)7-12-18-15-6-4-3-5-14(15)17-10-8-16-9-11-17/h3-7,16H,8-12H2,1-2H3.
What are the key properties of 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine?
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbut-2-enoxy)phenyl]piperazine is sourced from PubChem (CID 114284672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).