2-cyclobutylidene-1-methylpiperazine

C9H16N2 — CID 88977894

IUPAC2-cyclobutylidene-1-methylpiperazine
SMILESCN1CCNCC1=C1CCC1
InChIInChI=1S/C9H16N2/c1-11-6-5-10-7-9(11)8-3-2-4-8/h10H,2-7H2,1H3
InChIKeyQBVHIZAWDMNVBL-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.96
Rot. Bonds

About 2-cyclobutylidene-1-methylpiperazine

2-cyclobutylidene-1-methylpiperazine (PubChem CID 88977894) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-cyclobutylidene-1-methylpiperazine.

Molecular Properties

Compound Name2-cyclobutylidene-1-methylpiperazine
PubChem CID88977894
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-cyclobutylidene-1-methylpiperazine
SMILESCN1CCNCC1=C1CCC1
InChIInChI=1S/C9H16N2/c1-11-6-5-10-7-9(11)8-3-2-4-8/h10H,2-7H2,1H3
InChIKeyQBVHIZAWDMNVBL-UHFFFAOYSA-N
XLogP0.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidene-1-methylpiperazine?
The IUPAC name of 2-cyclobutylidene-1-methylpiperazine (CID 88977894) is 2-cyclobutylidene-1-methylpiperazine.
What is the SMILES notation for 2-cyclobutylidene-1-methylpiperazine?
The canonical SMILES for 2-cyclobutylidene-1-methylpiperazine is CN1CCNCC1=C1CCC1.
What is the InChIKey of 2-cyclobutylidene-1-methylpiperazine?
The InChIKey is QBVHIZAWDMNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-11-6-5-10-7-9(11)8-3-2-4-8/h10H,2-7H2,1H3.
What are the key properties of 2-cyclobutylidene-1-methylpiperazine?
2-cyclobutylidene-1-methylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-1-methylpiperazine is sourced from PubChem (CID 88977894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).