1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine

C11H24N4 — CID 110917693

IUPAC1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCC1CCN(C)CC1
InChIInChI=1S/C11H24N4/c1-12-11(13-2)14-7-4-10-5-8-15(3)9-6-10/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyJWHJHEIFIVZBDB-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.51
Rot. Bonds3

About 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine

1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (PubChem CID 110917693) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
PubChem CID110917693
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCC1CCN(C)CC1
InChIInChI=1S/C11H24N4/c1-12-11(13-2)14-7-4-10-5-8-15(3)9-6-10/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyJWHJHEIFIVZBDB-UHFFFAOYSA-N
XLogP0.51
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.51
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

2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111961641
2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111961640
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111629054
tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884169
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139625
tert-butyl N-[3-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]propyl]carbamate
CID 111886361
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370807
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111228745
1-[2-(azepan-1-yl)-3-methylbutyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111937136
1-(2-ethylhexyl)-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111128115
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-(3-phenoxypropyl)guanidine
CID 111418107
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111183724

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (CID 110917693) is 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine is C/N=C(\NC)NCCC1CCN(C)CC1.
What is the InChIKey of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The InChIKey is JWHJHEIFIVZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-12-11(13-2)14-7-4-10-5-8-15(3)9-6-10/h10H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine is sourced from PubChem (CID 110917693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).