1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine

C24H41N5O2 — CID 111309788

IUPAC1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCC1CCCN(CC)C1
InChIInChI=1S/C24H41N5O2/c1-4-25-24(26-17-20-7-6-12-28(5-2)19-20)27-18-23(29-13-15-31-16-14-29)21-8-10-22(30-3)11-9-21/h8-11,20,23H,4-7,12-19H2,1-3H3,(H2,25,26,27)
InChIKeyYINXVNQTCAKVEU-UHFFFAOYSA-N
MW431.63 g/mol
LogP2.36
Rot. Bonds9

About 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine

1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111309788) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111309788
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC Name1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCC1CCCN(CC)C1
InChIInChI=1S/C24H41N5O2/c1-4-25-24(26-17-20-7-6-12-28(5-2)19-20)27-18-23(29-13-15-31-16-14-29)21-8-10-22(30-3)11-9-21/h8-11,20,23H,4-7,12-19H2,1-3H3,(H2,25,26,27)
InChIKeyYINXVNQTCAKVEU-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111604771
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111765339
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111604770
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111309851
1-(cyclopropylmethyl)-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111867477
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111292156
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778609
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137954
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111765251
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109493864
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine (CID 111309788) is 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine is CCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCC1CCCN(CC)C1.
What is the InChIKey of 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is YINXVNQTCAKVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-4-25-24(26-17-20-7-6-12-28(5-2)19-20)27-18-23(29-13-15-31-16-14-29)21-8-10-22(30-3)11-9-21/h8-11,20,23H,4-7,12-19H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 431.63 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111309788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).