2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide

C15H27BrN4O2 — CID 75535404

IUPAC2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
SMILESBr.COCCN/C(N)=N/CC(c1ccco1)N1CCCCC1
InChIInChI=1S/C15H26N4O2.BrH/c1-20-11-7-17-15(16)18-12-13(14-6-5-10-21-14)19-8-3-2-4-9-19;/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H3,16,17,18);1H
InChIKeyIMABTUVJGKPBER-UHFFFAOYSA-N
MW375.31 g/mol
LogP1.94
Rot. Bonds7

About 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide

2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide (PubChem CID 75535404) has the molecular formula C15H27BrN4O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
PubChem CID75535404
Molecular FormulaC15H27BrN4O2
Molecular Weight375.31 g/mol
Exact Mass374.13
IUPAC Name2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
SMILESBr.COCCN/C(N)=N/CC(c1ccco1)N1CCCCC1
InChIInChI=1S/C15H26N4O2.BrH/c1-20-11-7-17-15(16)18-12-13(14-6-5-10-21-14)19-8-3-2-4-9-19;/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H3,16,17,18);1H
InChIKeyIMABTUVJGKPBER-UHFFFAOYSA-N
XLogP1.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 51.94
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-(3-methylbutyl)guanidine
CID 111027418
1-(3-ethoxypropyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111027448
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine
CID 110941478
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-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111304033
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111027452
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941436
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941476

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide?
The IUPAC name of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide (CID 75535404) is 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide?
The canonical SMILES for 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide is Br.COCCN/C(N)=N/CC(c1ccco1)N1CCCCC1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide?
The InChIKey is IMABTUVJGKPBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.BrH/c1-20-11-7-17-15(16)18-12-13(14-6-5-10-21-14)19-8-3-2-4-9-19;/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide?
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide has a molecular weight of 375.31 g/mol, XLogP of 1.94, 7 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-(2-methoxyethyl)guanidine;hydrobromide is sourced from PubChem (CID 75535404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).