1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide

C17H29IN4O2 — CID 111989894

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccco1)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C17H28N4O2.HI/c1-2-18-17(19-12-15(22)16-4-3-11-23-16)20-13-7-9-21(10-8-13)14-5-6-14;/h3-4,11,13-15,22H,2,5-10,12H2,1H3,(H2,18,19,20);1H
InChIKeyPSARQWHNZULOJH-UHFFFAOYSA-N
MW448.35 g/mol
LogP2.11
Rot. Bonds6

About 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide

1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide (PubChem CID 111989894) has the molecular formula C17H29IN4O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
PubChem CID111989894
Molecular FormulaC17H29IN4O2
Molecular Weight448.35 g/mol
Exact Mass448.13
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccco1)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C17H28N4O2.HI/c1-2-18-17(19-12-15(22)16-4-3-11-23-16)20-13-7-9-21(10-8-13)14-5-6-14;/h3-4,11,13-15,22H,2,5-10,12H2,1H3,(H2,18,19,20);1H
InChIKeyPSARQWHNZULOJH-UHFFFAOYSA-N
XLogP2.11
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 52.11
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'}, {'alert_name': 'iodine', '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-(4-methylcyclohexyl)guanidine
CID 111256659
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-phenylpiperidin-4-yl)guanidine
CID 111992013
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-(1-phenylethyl)piperidin-4-yl]guanidine
CID 111994009
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111996570
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993538
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111995152
1-ethyl-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111992578
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111995453
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111990566
ethyl 4-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]carbamimidoyl]amino]cyclohexane-1-carboxylate;hydroiodide
CID 111991762

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide (CID 111989894) is 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide is CCN/C(=N\CC(O)c1ccco1)NC1CCN(C2CC2)CC1.I.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide?
The InChIKey is PSARQWHNZULOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.HI/c1-2-18-17(19-12-15(22)16-4-3-11-23-16)20-13-7-9-21(10-8-13)14-5-6-14;/h3-4,11,13-15,22H,2,5-10,12H2,1H3,(H2,18,19,20);1H.
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide?
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide is sourced from PubChem (CID 111989894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).