1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide

C10H19IN4O — CID 120606223

IUPAC1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCC(=O)N1)NC1CC1
InChIInChI=1S/C10H18N4O.HI/c11-10(14-7-4-5-7)12-6-8-2-1-3-9(15)13-8;/h7-8H,1-6H2,(H,13,15)(H3,11,12,14);1H
InChIKeyVXERXYHDGFYBBG-UHFFFAOYSA-N
MW338.19 g/mol
LogP0.34
Rot. Bonds3

About 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide

1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 120606223) has the molecular formula C10H19IN4O and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
PubChem CID120606223
Molecular FormulaC10H19IN4O
Molecular Weight338.19 g/mol
Exact Mass338.06
IUPAC Name1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCC(=O)N1)NC1CC1
InChIInChI=1S/C10H18N4O.HI/c11-10(14-7-4-5-7)12-6-8-2-1-3-9(15)13-8;/h7-8H,1-6H2,(H,13,15)(H3,11,12,14);1H
InChIKeyVXERXYHDGFYBBG-UHFFFAOYSA-N
XLogP0.34
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 50.34
H-Bond Donors ≤ 53
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-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine
CID 120606194
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 120606169
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine
CID 120606170
1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
CID 120606171
2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 120606157
2-[(6-oxopiperidin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120606178
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
CID 115600994
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
6-[(cyclopentylamino)methyl]piperidin-2-one
CID 130657607
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide (CID 120606223) is 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide is I.N/C(=N\CC1CCCC(=O)N1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is VXERXYHDGFYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.HI/c11-10(14-7-4-5-7)12-6-8-2-1-3-9(15)13-8;/h7-8H,1-6H2,(H,13,15)(H3,11,12,14);1H.
What are the key properties of 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 338.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120606223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).