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

C17H30N4O2 — CID 111027448

IUPAC1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
SMILESCCOCCCN/C(N)=N/CC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-2-22-12-7-9-19-17(18)20-14-15(16-8-6-13-23-16)21-10-4-3-5-11-21/h6,8,13,15H,2-5,7,9-12,14H2,1H3,(H3,18,19,20)
InChIKeyNLSKKHUSJCHGIK-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.14
Rot. Bonds9

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

1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine (PubChem CID 111027448) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
PubChem CID111027448
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
SMILESCCOCCCN/C(N)=N/CC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-2-22-12-7-9-19-17(18)20-14-15(16-8-6-13-23-16)21-10-4-3-5-11-21/h6,8,13,15H,2-5,7,9-12,14H2,1H3,(H3,18,19,20)
InChIKeyNLSKKHUSJCHGIK-UHFFFAOYSA-N
XLogP2.14
TPSA76.02 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 ≤ 52.14
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

2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine
CID 52502154
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
CID 75535404
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111008470
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine
CID 111027418
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111027452
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111027441
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924028
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642609
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine
CID 47083229
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111008146

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine (CID 111027448) is 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine is CCOCCCN/C(N)=N/CC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The InChIKey is NLSKKHUSJCHGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-2-22-12-7-9-19-17(18)20-14-15(16-8-6-13-23-16)21-10-4-3-5-11-21/h6,8,13,15H,2-5,7,9-12,14H2,1H3,(H3,18,19,20).
What are the key properties of 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine has a molecular weight of 322.45 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine is sourced from PubChem (CID 111027448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).