2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide

C15H27IN4O — CID 111027441

IUPAC2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC(c1ccco1)N1CCCCC1.I
InChIInChI=1S/C15H26N4O.HI/c1-12(2)18-15(16)17-11-13(14-7-6-10-20-14)19-8-4-3-5-9-19;/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H3,16,17,18);1H
InChIKeyUMWAOVYGOKLBIE-UHFFFAOYSA-N
MW406.31 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide

2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111027441) has the molecular formula C15H27IN4O and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111027441
Molecular FormulaC15H27IN4O
Molecular Weight406.31 g/mol
Exact Mass406.12
IUPAC Name2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC(c1ccco1)N1CCCCC1.I
InChIInChI=1S/C15H26N4O.HI/c1-12(2)18-15(16)17-11-13(14-7-6-10-20-14)19-8-4-3-5-9-19;/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H3,16,17,18);1H
InChIKeyUMWAOVYGOKLBIE-UHFFFAOYSA-N
XLogP2.74
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-methylbutyl)guanidine
CID 111027418
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-(2-methoxyethyl)guanidine
CID 52502154
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine
CID 110913966
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-(2-methoxyethyl)guanidine;hydrobromide
CID 75535404
1-cyclopentyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 119117307
1,1-diethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111027437
1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111028634
1-(3-ethylphenyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111027456
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-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide (CID 111027441) is 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/CC(c1ccco1)N1CCCCC1.I.
What is the InChIKey of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is UMWAOVYGOKLBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.HI/c1-12(2)18-15(16)17-11-13(14-7-6-10-20-14)19-8-4-3-5-9-19;/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 406.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111027441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).