1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine

C10H22N4O — CID 47091818

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(CCOC)CC1
InChIInChI=1S/C10H22N4O/c1-12-10(11)13-9-3-5-14(6-4-9)7-8-15-2/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyWMOZDCQJYZJSON-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.37
Rot. Bonds4

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine

1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine (PubChem CID 47091818) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine
PubChem CID47091818
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(CCOC)CC1
InChIInChI=1S/C10H22N4O/c1-12-10(11)13-9-3-5-14(6-4-9)7-8-15-2/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyWMOZDCQJYZJSON-UHFFFAOYSA-N
XLogP-0.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
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

3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861345
2,2-dimethylpropane;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]acetamide
CID 143432869
N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861381
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991889
N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine
CID 58365048
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
CID 115705235
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 119150767
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119150765
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine (CID 47091818) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine is C/N=C(\N)NC1CCN(CCOC)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine?
The InChIKey is WMOZDCQJYZJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-12-10(11)13-9-3-5-14(6-4-9)7-8-15-2/h9H,3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine?
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine has a molecular weight of 214.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine is sourced from PubChem (CID 47091818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).