1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine

C17H30N4O2 — CID 111751316

IUPAC1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine
SMILESCOCCN/C(=N\CCN1CCCCC1)NCCc1ccco1
InChIInChI=1S/C17H30N4O2/c1-22-15-10-20-17(18-8-7-16-6-5-14-23-16)19-9-13-21-11-3-2-4-12-21/h5-6,14H,2-4,7-13,15H2,1H3,(H2,18,19,20)
InChIKeyDHCPUZJVWSGEMF-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.49
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine (PubChem CID 111751316) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine
PubChem CID111751316
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine
SMILESCOCCN/C(=N\CCN1CCCCC1)NCCc1ccco1
InChIInChI=1S/C17H30N4O2/c1-22-15-10-20-17(18-8-7-16-6-5-14-23-16)19-9-13-21-11-3-2-4-12-21/h5-6,14H,2-4,7-13,15H2,1H3,(H2,18,19,20)
InChIKeyDHCPUZJVWSGEMF-UHFFFAOYSA-N
XLogP1.49
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111355676
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111751245
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111542314
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111842106
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111542313
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111538635
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111751321
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111785670
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110975840
1-[2-(2-chlorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 111751345
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111541908
2-[3-(cyclopropylmethoxy)propyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111751449

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine (CID 111751316) is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine is COCCN/C(=N\CCN1CCCCC1)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is DHCPUZJVWSGEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-22-15-10-20-17(18-8-7-16-6-5-14-23-16)19-9-13-21-11-3-2-4-12-21/h5-6,14H,2-4,7-13,15H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine?
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 322.45 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 111751316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).