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

C16H32N4O — CID 109381658

IUPAC1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCCC1CCN(C)CC1)N(C)CC1CCOC1
InChIInChI=1S/C16H32N4O/c1-17-16(20(3)12-15-7-11-21-13-15)18-8-4-14-5-9-19(2)10-6-14/h14-15H,4-13H2,1-3H3,(H,17,18)
InChIKeyLHQZZGDUPUMWRX-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.26
Rot. Bonds5

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

1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109381658) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109381658
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCCC1CCN(C)CC1)N(C)CC1CCOC1
InChIInChI=1S/C16H32N4O/c1-17-16(20(3)12-15-7-11-21-13-15)18-8-4-14-5-9-19(2)10-6-14/h14-15H,4-13H2,1-3H3,(H,17,18)
InChIKeyLHQZZGDUPUMWRX-UHFFFAOYSA-N
XLogP1.26
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide
CID 86781203
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109382217
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109382218
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109384817
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109384818
1-Ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111387324
1-Ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111387325
2-Methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111387893
2-Methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111387894
1-Ethyl-2-(3-methoxypropyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968106
2-(3-Ethoxypropyl)-1-ethyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968570
2-(3-Ethoxypropyl)-1-ethyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968571

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine (CID 109381658) is 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine is C/N=C(/NCCC1CCN(C)CC1)N(C)CC1CCOC1.
What is the InChIKey of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is LHQZZGDUPUMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-17-16(20(3)12-15-7-11-21-13-15)18-8-4-14-5-9-19(2)10-6-14/h14-15H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 296.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109381658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).