1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine

C18H37N5O — CID 111187385

IUPAC1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCCCC1C)NCCN1CCOCC1
InChIInChI=1S/C18H37N5O/c1-4-19-18(20-8-10-22-11-13-24-14-12-22)21-15-17(3)23-9-6-5-7-16(23)2/h16-17H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyPFEIOKUYEASRNG-UHFFFAOYSA-N
MW339.53 g/mol
LogP1.14
Rot. Bonds7

About 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine

1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111187385) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111187385
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCCCC1C)NCCN1CCOCC1
InChIInChI=1S/C18H37N5O/c1-4-19-18(20-8-10-22-11-13-24-14-12-22)21-15-17(3)23-9-6-5-7-16(23)2/h16-17H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyPFEIOKUYEASRNG-UHFFFAOYSA-N
XLogP1.14
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.14
H-Bond Donors ≤ 52
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

2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056386
1-ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111839177
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125898
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111138631
1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111834598
1-ethyl-2-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187646
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111840470
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111839194
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188264
2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187880
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111189500
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417114

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine (CID 111187385) is 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\CC(C)N1CCCCC1C)NCCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is PFEIOKUYEASRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-4-19-18(20-8-10-22-11-13-24-14-12-22)21-15-17(3)23-9-6-5-7-16(23)2/h16-17H,4-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 339.53 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111187385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).