1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen

C12H26N2 — CID 144799008

IUPAC1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen
SMILESC=CC(CN1CCN(C)CC1)C(C)C.[H][H]
InChIInChI=1S/C12H24N2.H2/c1-5-12(11(2)3)10-14-8-6-13(4)7-9-14;/h5,11-12H,1,6-10H2,2-4H3;1H
InChIKeyRNJOJKMHIBXPFI-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.94
Rot. Bonds4

About 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen

1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen (PubChem CID 144799008) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen
PubChem CID144799008
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen
SMILESC=CC(CN1CCN(C)CC1)C(C)C.[H][H]
InChIInChI=1S/C12H24N2.H2/c1-5-12(11(2)3)10-14-8-6-13(4)7-9-14;/h5,11-12H,1,6-10H2,2-4H3;1H
InChIKeyRNJOJKMHIBXPFI-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen?
The IUPAC name of 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen (CID 144799008) is 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen.
What is the SMILES notation for 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen?
The canonical SMILES for 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen is C=CC(CN1CCN(C)CC1)C(C)C.[H][H].
What is the InChIKey of 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen?
The InChIKey is RNJOJKMHIBXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.H2/c1-5-12(11(2)3)10-14-8-6-13(4)7-9-14;/h5,11-12H,1,6-10H2,2-4H3;1H.
What are the key properties of 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen?
1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen has a molecular weight of 198.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen is sourced from PubChem (CID 144799008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).