1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine

C11H22N2 — CID 131161501

IUPAC1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine
SMILESC=C(C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h11H,1,5-9H2,2-4H3
InChIKeyXJGQRGORFRRGRM-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.59
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine

1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine (PubChem CID 131161501) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine
PubChem CID131161501
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine
SMILESC=C(C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h11H,1,5-9H2,2-4H3
InChIKeyXJGQRGORFRRGRM-UHFFFAOYSA-N
XLogP1.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
Cambridge id 5452494
CID 783791
Cambridge id 5513707
CID 870776
Cambridge id 5513711
CID 870777
1,4-Bis(2-methylprop-2-enyl)piperazine
CID 2047144
2-Methyl-1,4-bis(2-methylprop-1-enyl)piperazine
CID 3020087
1-(2-Methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 90245436
1-Propan-2-yl-4-prop-2-enylpiperazine
CID 20613816
1-Pentan-3-yl-4-prop-2-enylpiperazine
CID 20735227
1-Butan-2-yl-4-prop-2-enylpiperazine
CID 166800367
(2R,5S)-2,5-Dimethyl-1,4-di(prop-2-en-1-yl)piperazine
CID 29977824
8-(2-Methylprop-2-enyl)-8-aza-5-azoniaspiro[4.5]decane
CID 44285629

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine (CID 131161501) is 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine is C=C(C)CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine?
The InChIKey is XJGQRGORFRRGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h11H,1,5-9H2,2-4H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine?
1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 131161501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).