1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine

C12H22N2O — CID 51073526

IUPAC1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H22N2O/c1-2-5-13-6-8-14(9-7-13)11-12-4-3-10-15-12/h2,12H,1,3-11H2
InChIKeyWFQCIEMNPYIOIC-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.97
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine

1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine (PubChem CID 51073526) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine
PubChem CID51073526
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H22N2O/c1-2-5-13-6-8-14(9-7-13)11-12-4-3-10-15-12/h2,12H,1,3-11H2
InChIKeyWFQCIEMNPYIOIC-UHFFFAOYSA-N
XLogP0.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-4-(oxolan-2-ylmethyl)piperazine
CID 11735766
Xrrhjiqqgpdfne-uhfffaoysa-
CID 12075955
1-(3-Methylbut-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
CID 51074023
1-(2-Chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
CID 51074024
3-Prop-2-enyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 21544560
3-Prop-2-enyl-8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
CID 21544584
CID 57540946
CID 57540946
N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 67976656
1-(Oxolan-2-ylmethyl)-4-propylpiperazine
CID 68096170
1-Iodo-4-(oxolan-2-ylmethyl)piperazine
CID 129301600
Ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine
CID 144114709
Ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine
CID 145468320

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine (CID 51073526) is 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine is C=CCN1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine?
The InChIKey is WFQCIEMNPYIOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-5-13-6-8-14(9-7-13)11-12-4-3-10-15-12/h2,12H,1,3-11H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine?
1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine has a molecular weight of 210.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-4-prop-2-enylpiperazine is sourced from PubChem (CID 51073526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).