1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine

C17H28N4 — CID 111803478

IUPAC1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CC2CCCCN2CC)cc1
InChIInChI=1S/C17H28N4/c1-3-14-8-10-15(11-9-14)20-17(18)19-13-16-7-5-6-12-21(16)4-2/h8-11,16H,3-7,12-13H2,1-2H3,(H3,18,19,20)
InChIKeyRTRLRKOSTRRCMH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine

1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine (PubChem CID 111803478) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
PubChem CID111803478
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CC2CCCCN2CC)cc1
InChIInChI=1S/C17H28N4/c1-3-14-8-10-15(11-9-14)20-17(18)19-13-16-7-5-6-12-21(16)4-2/h8-11,16H,3-7,12-13H2,1-2H3,(H3,18,19,20)
InChIKeyRTRLRKOSTRRCMH-UHFFFAOYSA-N
XLogP2.85
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.85
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-ethylpiperidin-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111803513
2-[(1-ethylpiperidin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111803487
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
1-(3,5-dimethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803508
1-[2-(4-ethylphenyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111802716
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine;hydroiodide
CID 111803497
1-(2,6-diethylphenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111026543
2-[(1-benzylpiperidin-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111077996
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1-phenylguanidine
CID 111111458
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[3-(4-hydroxyphenyl)propyl]guanidine;hydroiodide
CID 111816065
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111025162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine (CID 111803478) is 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine is CCc1ccc(N/C(N)=N/CC2CCCCN2CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine?
The InChIKey is RTRLRKOSTRRCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-14-8-10-15(11-9-14)20-17(18)19-13-16-7-5-6-12-21(16)4-2/h8-11,16H,3-7,12-13H2,1-2H3,(H3,18,19,20).
What are the key properties of 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine?
1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine has a molecular weight of 288.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine is sourced from PubChem (CID 111803478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).