1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide

C22H29IN4 — CID 119118310

IUPAC1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESI.N/C(=N\C1CC1c1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4.HI/c23-22(25-21-15-20(21)18-9-5-2-6-10-18)24-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17;/h1-10,19-21H,11-16H2,(H3,23,24,25);1H
InChIKeyBIPVUJSCHYXGKT-UHFFFAOYSA-N
MW476.41 g/mol
LogP3.73
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide

1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide (PubChem CID 119118310) has the molecular formula C22H29IN4 and a molecular weight of 476.41 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
PubChem CID119118310
Molecular FormulaC22H29IN4
Molecular Weight476.41 g/mol
Exact Mass476.14
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESI.N/C(=N\C1CC1c1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4.HI/c23-22(25-21-15-20(21)18-9-5-2-6-10-18)24-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17;/h1-10,19-21H,11-16H2,(H3,23,24,25);1H
InChIKeyBIPVUJSCHYXGKT-UHFFFAOYSA-N
XLogP3.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-benzylpiperidin-4-yl)-2-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]guanidine
CID 120671276
1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
CID 119152194
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558383
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-amino-2-(2-phenylcyclopropyl)guanidine
CID 64866667
1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
CID 119117109
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine
CID 111818894
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 119148060
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide (CID 119118310) is 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide is I.N/C(=N\C1CC1c1ccccc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide?
The InChIKey is BIPVUJSCHYXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4.HI/c23-22(25-21-15-20(21)18-9-5-2-6-10-18)24-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17;/h1-10,19-21H,11-16H2,(H3,23,24,25);1H.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide?
1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide has a molecular weight of 476.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 119118310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).