2-(1-methylpiperidin-4-yl)-1-phenylguanidine

C13H20N4 — CID 62362758

IUPAC2-(1-methylpiperidin-4-yl)-1-phenylguanidine
SMILESCN1CCC(/N=C(\N)Nc2ccccc2)CC1
InChIInChI=1S/C13H20N4/c1-17-9-7-12(8-10-17)16-13(14)15-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H3,14,15,16)
InChIKeyMXSLZNKGMKQDTM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.51
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-1-phenylguanidine

2-(1-methylpiperidin-4-yl)-1-phenylguanidine (PubChem CID 62362758) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1-phenylguanidine
PubChem CID62362758
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(1-methylpiperidin-4-yl)-1-phenylguanidine
SMILESCN1CCC(/N=C(\N)Nc2ccccc2)CC1
InChIInChI=1S/C13H20N4/c1-17-9-7-12(8-10-17)16-13(14)15-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H3,14,15,16)
InChIKeyMXSLZNKGMKQDTM-UHFFFAOYSA-N
XLogP1.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.51
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'}

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Related Compounds

1-phenyl-2-(1-propylpiperidin-4-yl)guanidine
CID 55064114
2-cyclohexyl-1-phenylguanidine
CID 10900077
2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
2-(3-methylsulfanylcyclopentyl)-1-phenylguanidine
CID 113247076
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
CID 62369893
1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 79350479
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965901
2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
CID 62379412
2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110935137

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1-phenylguanidine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1-phenylguanidine (CID 62362758) is 2-(1-methylpiperidin-4-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1-phenylguanidine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1-phenylguanidine is CN1CCC(/N=C(\N)Nc2ccccc2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1-phenylguanidine?
The InChIKey is MXSLZNKGMKQDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-17-9-7-12(8-10-17)16-13(14)15-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H3,14,15,16).
What are the key properties of 2-(1-methylpiperidin-4-yl)-1-phenylguanidine?
2-(1-methylpiperidin-4-yl)-1-phenylguanidine has a molecular weight of 232.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1-phenylguanidine is sourced from PubChem (CID 62362758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).