3-methylidene-1-(2-methylpropyl)piperazine

C9H18N2 — CID 58326873

IUPAC3-methylidene-1-(2-methylpropyl)piperazine
SMILESC=C1CN(CC(C)C)CCN1
InChIInChI=1S/C9H18N2/c1-8(2)6-11-5-4-10-9(3)7-11/h8,10H,3-7H2,1-2H3
InChIKeyAZCMASCSKUDVPQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.06
Rot. Bonds2

About 3-methylidene-1-(2-methylpropyl)piperazine

3-methylidene-1-(2-methylpropyl)piperazine (PubChem CID 58326873) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-methylidene-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name3-methylidene-1-(2-methylpropyl)piperazine
PubChem CID58326873
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-methylidene-1-(2-methylpropyl)piperazine
SMILESC=C1CN(CC(C)C)CCN1
InChIInChI=1S/C9H18N2/c1-8(2)6-11-5-4-10-9(3)7-11/h8,10H,3-7H2,1-2H3
InChIKeyAZCMASCSKUDVPQ-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-methylpropyl)piperazine?
The IUPAC name of 3-methylidene-1-(2-methylpropyl)piperazine (CID 58326873) is 3-methylidene-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 3-methylidene-1-(2-methylpropyl)piperazine?
The canonical SMILES for 3-methylidene-1-(2-methylpropyl)piperazine is C=C1CN(CC(C)C)CCN1.
What is the InChIKey of 3-methylidene-1-(2-methylpropyl)piperazine?
The InChIKey is AZCMASCSKUDVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)6-11-5-4-10-9(3)7-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-methylidene-1-(2-methylpropyl)piperazine?
3-methylidene-1-(2-methylpropyl)piperazine has a molecular weight of 154.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 58326873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).