3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

C17H34N4O2 — CID 109386453

IUPAC3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCC1CCN(CCOC)CC1)N(C)CC1CCOC1
InChIInChI=1S/C17H34N4O2/c1-18-17(20(2)13-16-6-10-23-14-16)19-12-15-4-7-21(8-5-15)9-11-22-3/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyQATPYASHNFFMBG-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.89
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109386453) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109386453
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCC1CCN(CCOC)CC1)N(C)CC1CCOC1
InChIInChI=1S/C17H34N4O2/c1-18-17(20(2)13-16-6-10-23-14-16)19-12-15-4-7-21(8-5-15)9-11-22-3/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyQATPYASHNFFMBG-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.89
H-Bond Donors ≤ 51
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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Related Compounds

1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 109381696
3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386731
1,2-dimethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109381458
3-[4-(2-methoxyethoxy)butyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386597
1,2-dimethyl-3-[(4-methylmorpholin-2-yl)methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109385363
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 109385383
3-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385143
3-[2-(4-acetylpiperazin-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386656
3-(2,2-difluoroethyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386509
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386654
tert-butyl 4-[3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate
CID 109384589
3-[(2-tert-butyloxan-3-yl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386481

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (CID 109386453) is 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is C/N=C(/NCC1CCN(CCOC)CC1)N(C)CC1CCOC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is QATPYASHNFFMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-18-17(20(2)13-16-6-10-23-14-16)19-12-15-4-7-21(8-5-15)9-11-22-3/h15-16H,4-14H2,1-3H3,(H,18,19).
What are the key properties of 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 326.49 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109386453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).