1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine

C14H26N2O — CID 51074023

IUPAC1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESCC(C)=CCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H26N2O/c1-13(2)5-6-15-7-9-16(10-8-15)12-14-4-3-11-17-14/h5,14H,3-4,6-12H2,1-2H3
InChIKeyHBYSUQKYRZRHNL-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.75
Rot. Bonds4

About 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine

1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine (PubChem CID 51074023) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
PubChem CID51074023
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESCC(C)=CCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H26N2O/c1-13(2)5-6-15-7-9-16(10-8-15)12-14-4-3-11-17-14/h5,14H,3-4,6-12H2,1-2H3
InChIKeyHBYSUQKYRZRHNL-UHFFFAOYSA-N
XLogP1.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine (CID 51074023) is 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine is CC(C)=CCN1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
The InChIKey is HBYSUQKYRZRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)5-6-15-7-9-16(10-8-15)12-14-4-3-11-17-14/h5,14H,3-4,6-12H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine has a molecular weight of 238.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 51074023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).