2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine

C12H22N6 — CID 139315533

IUPAC2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine
SMILESC/N=C(\N)NC1=CC(C)C(N2CCNCC2)C=N1
InChIInChI=1S/C12H22N6/c1-9-7-11(17-12(13)14-2)16-8-10(9)18-5-3-15-4-6-18/h7-10,15H,3-6H2,1-2H3,(H3,13,14,17)
InChIKeyLUQGEKXVWKMQGU-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.64
Rot. Bonds2

About 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine

2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine (PubChem CID 139315533) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine
PubChem CID139315533
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine
SMILESC/N=C(\N)NC1=CC(C)C(N2CCNCC2)C=N1
InChIInChI=1S/C12H22N6/c1-9-7-11(17-12(13)14-2)16-8-10(9)18-5-3-15-4-6-18/h7-10,15H,3-6H2,1-2H3,(H3,13,14,17)
InChIKeyLUQGEKXVWKMQGU-UHFFFAOYSA-N
XLogP-0.64
TPSA78.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine?
The IUPAC name of 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine (CID 139315533) is 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine?
The canonical SMILES for 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine is C/N=C(\N)NC1=CC(C)C(N2CCNCC2)C=N1.
What is the InChIKey of 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine?
The InChIKey is LUQGEKXVWKMQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-9-7-11(17-12(13)14-2)16-8-10(9)18-5-3-15-4-6-18/h7-10,15H,3-6H2,1-2H3,(H3,13,14,17).
What are the key properties of 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine?
2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine has a molecular weight of 250.35 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-piperazin-1-yl-3,4-dihydropyridin-6-yl)guanidine is sourced from PubChem (CID 139315533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).