1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine

C22H32N4O2 — CID 111994009

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\CC(O)c1ccco1)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C22H32N4O2/c1-3-23-22(24-16-20(27)21-10-7-15-28-21)25-19-11-13-26(14-12-19)17(2)18-8-5-4-6-9-18/h4-10,15,17,19-20,27H,3,11-14,16H2,1-2H3,(H2,23,24,25)
InChIKeyHLAMSOBNMFSSAD-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.09
Rot. Bonds7

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine

1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine (PubChem CID 111994009) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine
PubChem CID111994009
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\CC(O)c1ccco1)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C22H32N4O2/c1-3-23-22(24-16-20(27)21-10-7-15-28-21)25-19-11-13-26(14-12-19)17(2)18-8-5-4-6-9-18/h4-10,15,17,19-20,27H,3,11-14,16H2,1-2H3,(H2,23,24,25)
InChIKeyHLAMSOBNMFSSAD-UHFFFAOYSA-N
XLogP3.09
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.09
H-Bond Donors ≤ 53
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-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318453
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-phenylpiperidin-4-yl)guanidine
CID 111992013
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111994176
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111989894
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256659
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991887
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111996570
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111994913
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993538
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine
CID 111994159
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111995453
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111995152

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine (CID 111994009) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine is CCN/C(=N\CC(O)c1ccco1)NC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine?
The InChIKey is HLAMSOBNMFSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-3-23-22(24-16-20(27)21-10-7-15-28-21)25-19-11-13-26(14-12-19)17(2)18-8-5-4-6-9-18/h4-10,15,17,19-20,27H,3,11-14,16H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine has a molecular weight of 384.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine is sourced from PubChem (CID 111994009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).