1-butyl-4-prop-2-enylpiperazine

C11H22N2 — CID 144889573

IUPAC1-butyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCCC)CC1
InChIInChI=1S/C11H22N2/c1-3-5-7-13-10-8-12(6-4-2)9-11-13/h4H,2-3,5-11H2,1H3
InChIKeyCMVGLFNPIZSRLT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.59
Rot. Bonds5

About 1-butyl-4-prop-2-enylpiperazine

1-butyl-4-prop-2-enylpiperazine (PubChem CID 144889573) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-butyl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-butyl-4-prop-2-enylpiperazine
PubChem CID144889573
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-butyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCCC)CC1
InChIInChI=1S/C11H22N2/c1-3-5-7-13-10-8-12(6-4-2)9-11-13/h4H,2-3,5-11H2,1H3
InChIKeyCMVGLFNPIZSRLT-UHFFFAOYSA-N
XLogP1.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Diallylpiperazine
CID 246344
1-Allyl-4-methylpiperazine
CID 12654562
8-Prop-2-enyl-8-aza-5-azoniaspiro[4.5]decane bromide
CID 44285540
1-Methyl-4-prop-2-enylpiperazine;hydrobromide
CID 45261362
2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
Cambridge id 5513707
CID 870776
Cambridge id 5513711
CID 870777
1,4-Bis(2-methylprop-2-enyl)piperazine
CID 2047144
triethyl-[(E)-4-piperidin-1-ylbut-2-enyl]azanium
CID 5753684
1-But-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine
CID 139714683
1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine
CID 146499163
N,N-diethyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
CID 261294

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-prop-2-enylpiperazine?
The IUPAC name of 1-butyl-4-prop-2-enylpiperazine (CID 144889573) is 1-butyl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-butyl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-butyl-4-prop-2-enylpiperazine is C=CCN1CCN(CCCC)CC1.
What is the InChIKey of 1-butyl-4-prop-2-enylpiperazine?
The InChIKey is CMVGLFNPIZSRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-7-13-10-8-12(6-4-2)9-11-13/h4H,2-3,5-11H2,1H3.
What are the key properties of 1-butyl-4-prop-2-enylpiperazine?
1-butyl-4-prop-2-enylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-prop-2-enylpiperazine is sourced from PubChem (CID 144889573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).