1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine

C19H27F3N4 — CID 120662526

IUPAC1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
SMILESCCc1ccc(N/C(N)=N/C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1
InChIInChI=1S/C19H27F3N4/c1-2-13-3-5-15(6-4-13)24-18(23)25-16-11-17(12-16)26-9-7-14(8-10-26)19(20,21)22/h3-6,14,16-17H,2,7-12H2,1H3,(H3,23,24,25)
InChIKeyOPEKRAIZUIRUMA-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine

1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine (PubChem CID 120662526) has the molecular formula C19H27F3N4 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
PubChem CID120662526
Molecular FormulaC19H27F3N4
Molecular Weight368.45 g/mol
Exact Mass368.22
IUPAC Name1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
SMILESCCc1ccc(N/C(N)=N/C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1
InChIInChI=1S/C19H27F3N4/c1-2-13-3-5-15(6-4-13)24-18(23)25-16-11-17(12-16)26-9-7-14(8-10-26)19(20,21)22/h3-6,14,16-17H,2,7-12H2,1H3,(H3,23,24,25)
InChIKeyOPEKRAIZUIRUMA-UHFFFAOYSA-N
XLogP3.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.78
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-(3-methoxyphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662544
1-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine
CID 120973983
2-(3-piperidin-1-ylcyclobutyl)-1-[3-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 120663019
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663010
1-(4-butylphenyl)-2-cyclopropylguanidine
CID 62378914
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
CID 120973982
1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663034
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
CID 119120242

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine (CID 120662526) is 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine is CCc1ccc(N/C(N)=N/C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
The InChIKey is OPEKRAIZUIRUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4/c1-2-13-3-5-15(6-4-13)24-18(23)25-16-11-17(12-16)26-9-7-14(8-10-26)19(20,21)22/h3-6,14,16-17H,2,7-12H2,1H3,(H3,23,24,25).
What are the key properties of 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine has a molecular weight of 368.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine is sourced from PubChem (CID 120662526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).