3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine

C23H38N4O2 — CID 109384370

IUPAC3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N1CCCCC1)N(C)CC1CCOC1
InChIInChI=1S/C23H38N4O2/c1-4-24-23(26(2)17-19-12-15-29-18-19)25-16-21(27-13-8-5-9-14-27)20-10-6-7-11-22(20)28-3/h6-7,10-11,19,21H,4-5,8-9,12-18H2,1-3H3,(H,24,25)
InChIKeyYQTYGFMRKVFWDG-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.16
Rot. Bonds8

About 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine

3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109384370) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109384370
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N1CCCCC1)N(C)CC1CCOC1
InChIInChI=1S/C23H38N4O2/c1-4-24-23(26(2)17-19-12-15-29-18-19)25-16-21(27-13-8-5-9-14-27)20-10-6-7-11-22(20)28-3/h6-7,10-11,19,21H,4-5,8-9,12-18H2,1-3H3,(H,24,25)
InChIKeyYQTYGFMRKVFWDG-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.16
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

3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385010
3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383594
3-ethyl-2-[2-(4-methoxyphenoxy)propyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381772
1-cyclopropyl-3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110987955
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384366
3-ethyl-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109422567
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide
CID 109381807
3-ethyl-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382150
3-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383330
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386929
1-ethyl-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111029037
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 109382907

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine (CID 109384370) is 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CC(c1ccccc1OC)N1CCCCC1)N(C)CC1CCOC1.
What is the InChIKey of 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is YQTYGFMRKVFWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-4-24-23(26(2)17-19-12-15-29-18-19)25-16-21(27-13-8-5-9-14-27)20-10-6-7-11-22(20)28-3/h6-7,10-11,19,21H,4-5,8-9,12-18H2,1-3H3,(H,24,25).
What are the key properties of 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 402.58 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109384370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).