1-(2-methylidenebutyl)piperazine

C9H18N2 — CID 66045415

IUPAC1-(2-methylidenebutyl)piperazine
SMILESC=C(CC)CN1CCNCC1
InChIInChI=1S/C9H18N2/c1-3-9(2)8-11-6-4-10-5-7-11/h10H,2-8H2,1H3
InChIKeyFRECLULBZQQLCI-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

About 1-(2-methylidenebutyl)piperazine

1-(2-methylidenebutyl)piperazine (PubChem CID 66045415) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(2-methylidenebutyl)piperazine.

Molecular Properties

Compound Name1-(2-methylidenebutyl)piperazine
PubChem CID66045415
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(2-methylidenebutyl)piperazine
SMILESC=C(CC)CN1CCNCC1
InChIInChI=1S/C9H18N2/c1-3-9(2)8-11-6-4-10-5-7-11/h10H,2-8H2,1H3
InChIKeyFRECLULBZQQLCI-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylallyl)piperazine
CID 1073878
1-(3-Methyl-but-2-enyl)-piperazine
CID 10441904
1-(2,3-Dimethylbut-2-enyl)piperazine
CID 20521849
1-[(E)-2-ethylhex-2-enyl]piperazine
CID 20521851
1-[(E)-2-methylpent-2-enyl]piperazine
CID 20521854
3-Methylidene-5-piperazin-1-ylpentan-1-amine
CID 21296961
1-[(Z)-2-ethylbut-2-enyl]piperazine
CID 22628661
1-[(E)-3-methylpent-2-enyl]piperazine
CID 22628662
1-(2-Ethylbut-2-enyl)piperazine
CID 53676885
2-(2-Methylprop-2-enyl)piperazine
CID 54301433
1-(2-Methylbut-2-enyl)piperazine
CID 54344810
1-(2-Methylpent-2-enyl)piperazine
CID 54463357

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenebutyl)piperazine?
The IUPAC name of 1-(2-methylidenebutyl)piperazine (CID 66045415) is 1-(2-methylidenebutyl)piperazine.
What is the SMILES notation for 1-(2-methylidenebutyl)piperazine?
The canonical SMILES for 1-(2-methylidenebutyl)piperazine is C=C(CC)CN1CCNCC1.
What is the InChIKey of 1-(2-methylidenebutyl)piperazine?
The InChIKey is FRECLULBZQQLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(2)8-11-6-4-10-5-7-11/h10H,2-8H2,1H3.
What are the key properties of 1-(2-methylidenebutyl)piperazine?
1-(2-methylidenebutyl)piperazine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenebutyl)piperazine is sourced from PubChem (CID 66045415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).