1-methyl-1-(1-methylpiperidin-4-yl)guanidine

C8H18N4 — CID 43189380

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)N(C)C1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-11-5-3-7(4-6-11)12(2)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyKSPPTZWYSYSVKD-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.09
Rot. Bonds1

About 1-methyl-1-(1-methylpiperidin-4-yl)guanidine

1-methyl-1-(1-methylpiperidin-4-yl)guanidine (PubChem CID 43189380) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)guanidine
PubChem CID43189380
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)N(C)C1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-11-5-3-7(4-6-11)12(2)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyKSPPTZWYSYSVKD-UHFFFAOYSA-N
XLogP-0.09
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.09
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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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide
CID 63178577
2-cyclopropyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 62360654
2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 55063864
(1-methylpiperidin-4-yl) carbamimidothioate
CID 164875555
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110030671
2-amino-3-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 81082211
2-(2-aminoethoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 79462989
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)guanidine (CID 43189380) is 1-methyl-1-(1-methylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)guanidine is [H]/N=C(\N)N(C)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The InChIKey is KSPPTZWYSYSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-11-5-3-7(4-6-11)12(2)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
1-methyl-1-(1-methylpiperidin-4-yl)guanidine has a molecular weight of 170.26 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)guanidine is sourced from PubChem (CID 43189380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).