6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide

C14H23N5 — CID 64594178

IUPAC6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H23N5/c1-14(2,3)19-9-7-18(8-10-19)12-6-4-5-11(17-12)13(15)16/h4-6H,7-10H2,1-3H3,(H3,15,16)
InChIKeyDKOYRAQTYTZIAK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds2

About 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide

6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide (PubChem CID 64594178) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide
PubChem CID64594178
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H23N5/c1-14(2,3)19-9-7-18(8-10-19)12-6-4-5-11(17-12)13(15)16/h4-6H,7-10H2,1-3H3,(H3,15,16)
InChIKeyDKOYRAQTYTZIAK-UHFFFAOYSA-N
XLogP1.29
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide 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 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide (CID 64594178) is 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide?
The InChIKey is DKOYRAQTYTZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-14(2,3)19-9-7-18(8-10-19)12-6-4-5-11(17-12)13(15)16/h4-6H,7-10H2,1-3H3,(H3,15,16).
What are the key properties of 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide?
6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 64594178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).