1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine

C13H24N4O — CID 120606194

IUPAC1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine
SMILESN/C(=N\CC1CCCC(=O)N1)NC1CCCCC1
InChIInChI=1S/C13H24N4O/c14-13(17-10-5-2-1-3-6-10)15-9-11-7-4-8-12(18)16-11/h10-11H,1-9H2,(H,16,18)(H3,14,15,17)
InChIKeyVRYJQSIQUOANMK-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.89
Rot. Bonds3

About 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine

1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine (PubChem CID 120606194) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine
PubChem CID120606194
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine
SMILESN/C(=N\CC1CCCC(=O)N1)NC1CCCCC1
InChIInChI=1S/C13H24N4O/c14-13(17-10-5-2-1-3-6-10)15-9-11-7-4-8-12(18)16-11/h10-11H,1-9H2,(H,16,18)(H3,14,15,17)
InChIKeyVRYJQSIQUOANMK-UHFFFAOYSA-N
XLogP0.89
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.89
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'}

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Related Compounds

1-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
CID 120606223
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 120606169
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
2-[(6-oxopiperidin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120606178
6-[(cyclopentylamino)methyl]piperidin-2-one
CID 130657607
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cycloheptyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110018397
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine
CID 114181521

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine (CID 120606194) is 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine is N/C(=N\CC1CCCC(=O)N1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine?
The InChIKey is VRYJQSIQUOANMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c14-13(17-10-5-2-1-3-6-10)15-9-11-7-4-8-12(18)16-11/h10-11H,1-9H2,(H,16,18)(H3,14,15,17).
What are the key properties of 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine?
1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine has a molecular weight of 252.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine is sourced from PubChem (CID 120606194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).