1-butan-2-yl-4-prop-2-enylpiperazine

C11H22N2 — CID 166800367

IUPAC1-butan-2-yl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)CC)CC1
InChIInChI=1S/C11H22N2/c1-4-6-12-7-9-13(10-8-12)11(3)5-2/h4,11H,1,5-10H2,2-3H3
InChIKeyXJTDRXPLXVZOPR-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.59
Rot. Bonds4

About 1-butan-2-yl-4-prop-2-enylpiperazine

1-butan-2-yl-4-prop-2-enylpiperazine (PubChem CID 166800367) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-butan-2-yl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-prop-2-enylpiperazine
PubChem CID166800367
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-butan-2-yl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)CC)CC1
InChIInChI=1S/C11H22N2/c1-4-6-12-7-9-13(10-8-12)11(3)5-2/h4,11H,1,5-10H2,2-3H3
InChIKeyXJTDRXPLXVZOPR-UHFFFAOYSA-N
XLogP1.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
1-Allyl-4-methylpiperazine
CID 12654562
1-Piperazinecarbodithioic acid, 4-allyl-2-methyl-
CID 213678
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-Methyl-4-prop-2-enylpiperazine;hydrobromide
CID 45261362
1-Allyl-2,5-dimethylpiperazine
CID 4135660
2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
N-allyl-3-methylpiperazine
CID 23447962
N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine
CID 139302721
2-(Difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
CID 166698660

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-prop-2-enylpiperazine?
The IUPAC name of 1-butan-2-yl-4-prop-2-enylpiperazine (CID 166800367) is 1-butan-2-yl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-butan-2-yl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-butan-2-yl-4-prop-2-enylpiperazine is C=CCN1CCN(C(C)CC)CC1.
What is the InChIKey of 1-butan-2-yl-4-prop-2-enylpiperazine?
The InChIKey is XJTDRXPLXVZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-6-12-7-9-13(10-8-12)11(3)5-2/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 1-butan-2-yl-4-prop-2-enylpiperazine?
1-butan-2-yl-4-prop-2-enylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-prop-2-enylpiperazine is sourced from PubChem (CID 166800367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).