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

C17H24N4O2 — CID 47083231

IUPAC2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
SMILESN/C(=N\Cc1ccco1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H24N4O2/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/h4-7,10-11,15H,1-3,8-9,12-13H2,(H3,18,19,20)
InChIKeyQWOJXHPGYZXSAK-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.50
Rot. Bonds6

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

2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine (PubChem CID 47083231) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
PubChem CID47083231
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
SMILESN/C(=N\Cc1ccco1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H24N4O2/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/h4-7,10-11,15H,1-3,8-9,12-13H2,(H3,18,19,20)
InChIKeyQWOJXHPGYZXSAK-UHFFFAOYSA-N
XLogP2.50
TPSA79.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.50
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

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-[2-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111304565
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
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-propan-2-ylguanidine;hydroiodide
CID 111027441
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114411
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-(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-methoxyethyl)guanidine;hydrobromide
CID 75535404

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The IUPAC name of 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine (CID 47083231) is 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine is N/C(=N\Cc1ccco1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The InChIKey is QWOJXHPGYZXSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/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/h4-7,10-11,15H,1-3,8-9,12-13H2,(H3,18,19,20).
What are the key properties of 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine has a molecular weight of 316.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine is sourced from PubChem (CID 47083231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).