1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide

C21H33IN4O — CID 119155996

IUPAC1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC1CCOc2ccccc21)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C21H32N4O.HI/c1-2-22-21(24-17-9-12-25(13-10-17)18-7-8-18)23-15-16-11-14-26-20-6-4-3-5-19(16)20;/h3-6,16-18H,2,7-15H2,1H3,(H2,22,23,24);1H
InChIKeyHUQDQBXJCJUQKI-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.35
Rot. Bonds5

About 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide

1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide (PubChem CID 119155996) has the molecular formula C21H33IN4O and a molecular weight of 484.43 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide
PubChem CID119155996
Molecular FormulaC21H33IN4O
Molecular Weight484.43 g/mol
Exact Mass484.17
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC1CCOc2ccccc21)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C21H32N4O.HI/c1-2-22-21(24-17-9-12-25(13-10-17)18-7-8-18)23-15-16-11-14-26-20-6-4-3-5-19(16)20;/h3-6,16-18H,2,7-15H2,1H3,(H2,22,23,24);1H
InChIKeyHUQDQBXJCJUQKI-UHFFFAOYSA-N
XLogP3.35
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.35
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'}

Analyze 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine
CID 119156015
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119156176
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111836729
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111840180
1-(1-cyclopropylpiperidin-4-yl)-3-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054127
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111989894
2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-(1-cyclopropylpiperidin-4-yl)-3-ethylguanidine;hydroiodide
CID 111990772
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111990566
N-[2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111316008
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111990604
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111316039
1-(1-cyclopropylpiperidin-4-yl)-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109404847

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide (CID 119155996) is 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CC1CCOc2ccccc21)NC1CCN(C2CC2)CC1.I.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide?
The InChIKey is HUQDQBXJCJUQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.HI/c1-2-22-21(24-17-9-12-25(13-10-17)18-7-8-18)23-15-16-11-14-26-20-6-4-3-5-19(16)20;/h3-6,16-18H,2,7-15H2,1H3,(H2,22,23,24);1H.
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide?
1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide has a molecular weight of 484.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 119155996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).