1-tert-butyl-3-methylidenepiperazine

C9H18N2 — CID 58564516

IUPAC1-tert-butyl-3-methylidenepiperazine
SMILESC=C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C9H18N2/c1-8-7-11(6-5-10-8)9(2,3)4/h10H,1,5-7H2,2-4H3
InChIKeyPEPDOSBSTBYSAP-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.20
Rot. Bonds

About 1-tert-butyl-3-methylidenepiperazine

1-tert-butyl-3-methylidenepiperazine (PubChem CID 58564516) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-tert-butyl-3-methylidenepiperazine.

Molecular Properties

Compound Name1-tert-butyl-3-methylidenepiperazine
PubChem CID58564516
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-tert-butyl-3-methylidenepiperazine
SMILESC=C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C9H18N2/c1-8-7-11(6-5-10-8)9(2,3)4/h10H,1,5-7H2,2-4H3
InChIKeyPEPDOSBSTBYSAP-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-methylidenepiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylidenepiperazine?
The IUPAC name of 1-tert-butyl-3-methylidenepiperazine (CID 58564516) is 1-tert-butyl-3-methylidenepiperazine.
What is the SMILES notation for 1-tert-butyl-3-methylidenepiperazine?
The canonical SMILES for 1-tert-butyl-3-methylidenepiperazine is C=C1CN(C(C)(C)C)CCN1.
What is the InChIKey of 1-tert-butyl-3-methylidenepiperazine?
The InChIKey is PEPDOSBSTBYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-7-11(6-5-10-8)9(2,3)4/h10H,1,5-7H2,2-4H3.
What are the key properties of 1-tert-butyl-3-methylidenepiperazine?
1-tert-butyl-3-methylidenepiperazine has a molecular weight of 154.26 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylidenepiperazine is sourced from PubChem (CID 58564516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).