1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine

C12H26N4 — CID 59768486

IUPAC1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCN1CCCCC1
InChIInChI=1S/C12H26N4/c1-12(2,3)15-11(13)14-7-10-16-8-5-4-6-9-16/h4-10H2,1-3H3,(H3,13,14,15)
InChIKeyIHVVOQXUCNAZOJ-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.18
Rot. Bonds3

About 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine

1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine (PubChem CID 59768486) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine
PubChem CID59768486
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCN1CCCCC1
InChIInChI=1S/C12H26N4/c1-12(2,3)15-11(13)14-7-10-16-8-5-4-6-9-16/h4-10H2,1-3H3,(H3,13,14,15)
InChIKeyIHVVOQXUCNAZOJ-UHFFFAOYSA-N
XLogP1.18
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine (CID 59768486) is 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine is CC(C)(C)N/C(N)=N/CCN1CCCCC1.
What is the InChIKey of 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is IHVVOQXUCNAZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-12(2,3)15-11(13)14-7-10-16-8-5-4-6-9-16/h4-10H2,1-3H3,(H3,13,14,15).
What are the key properties of 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine?
1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 59768486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).