1-phenyl-2-(1-propylpiperidin-4-yl)guanidine

C15H24N4 — CID 55064114

IUPAC1-phenyl-2-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(/N=C(\N)Nc2ccccc2)CC1
InChIInChI=1S/C15H24N4/c1-2-10-19-11-8-14(9-12-19)18-15(16)17-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H3,16,17,18)
InChIKeyGNEMKBXQDFWOPC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.29
Rot. Bonds4

About 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine

1-phenyl-2-(1-propylpiperidin-4-yl)guanidine (PubChem CID 55064114) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(1-propylpiperidin-4-yl)guanidine
PubChem CID55064114
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-phenyl-2-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(/N=C(\N)Nc2ccccc2)CC1
InChIInChI=1S/C15H24N4/c1-2-10-19-11-8-14(9-12-19)18-15(16)17-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H3,16,17,18)
InChIKeyGNEMKBXQDFWOPC-UHFFFAOYSA-N
XLogP2.29
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.29
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

2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758
2-cyclohexyl-1-phenylguanidine
CID 10900077
2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
1-(3-ethylphenyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077526
2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-phenylguanidine
CID 111858324
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
2-(3-methylsulfanylcyclopentyl)-1-phenylguanidine
CID 113247076
1-(3-phenoxyphenyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111599573
2-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111018105
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine (CID 55064114) is 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(/N=C(\N)Nc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is GNEMKBXQDFWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-10-19-11-8-14(9-12-19)18-15(16)17-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H3,16,17,18).
What are the key properties of 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine?
1-phenyl-2-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 260.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 55064114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).