2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine

C17H28N4O2 — CID 47083229

IUPAC2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\CC(c1ccco1)N1CCCCC1)NCC1CCCO1
InChIInChI=1S/C17H28N4O2/c18-17(19-12-14-6-4-10-22-14)20-13-15(16-7-5-11-23-16)21-8-2-1-3-9-21/h5,7,11,14-15H,1-4,6,8-10,12-13H2,(H3,18,19,20)
InChIKeyNJZDVKRTMBPIQL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine

2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 47083229) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine
PubChem CID47083229
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\CC(c1ccco1)N1CCCCC1)NCC1CCCO1
InChIInChI=1S/C17H28N4O2/c18-17(19-12-14-6-4-10-22-14)20-13-15(16-7-5-11-23-16)21-8-2-1-3-9-21/h5,7,11,14-15H,1-4,6,8-10,12-13H2,(H3,18,19,20)
InChIKeyNJZDVKRTMBPIQL-UHFFFAOYSA-N
XLogP1.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.89
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

1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94017525
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94017504
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
1-cyclopentyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 119117307
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-(3-methylbutyl)guanidine
CID 111027418
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417
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-methylprop-2-enyl)guanidine;hydroiodide
CID 136924028
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
CID 75535404
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111027452
1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111027448

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine (CID 47083229) is 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine is N/C(=N\CC(c1ccco1)N1CCCCC1)NCC1CCCO1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is NJZDVKRTMBPIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c18-17(19-12-14-6-4-10-22-14)20-13-15(16-7-5-11-23-16)21-8-2-1-3-9-21/h5,7,11,14-15H,1-4,6,8-10,12-13H2,(H3,18,19,20).
What are the key properties of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine?
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 320.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 47083229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).