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

C15H25F3N4 — CID 120662554

IUPAC2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
SMILESC=C(C)C/N=C(\N)NC1CC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H25F3N4/c1-10(2)9-20-14(19)21-12-7-13(8-12)22-5-3-11(4-6-22)15(16,17)18/h11-13H,1,3-9H2,2H3,(H3,19,20,21)
InChIKeyRTILSNXZHSIMHD-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.27
Rot. Bonds4

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

2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine (PubChem CID 120662554) has the molecular formula C15H25F3N4 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
PubChem CID120662554
Molecular FormulaC15H25F3N4
Molecular Weight318.39 g/mol
Exact Mass318.20
IUPAC Name2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
SMILESC=C(C)C/N=C(\N)NC1CC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H25F3N4/c1-10(2)9-20-14(19)21-12-7-13(8-12)22-5-3-11(4-6-22)15(16,17)18/h11-13H,1,3-9H2,2H3,(H3,19,20,21)
InChIKeyRTILSNXZHSIMHD-UHFFFAOYSA-N
XLogP2.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Butan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111752911
1-Propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111822473
2-(2-Methylprop-2-enyl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111822528
2-(2-Methylprop-2-enyl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111822529
2-Methyl-1-prop-2-enyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968147
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111994171
2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111995330
2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111995331
1-Ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111995334
1-Ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111995335
2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 112031074
2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 112031075

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine (CID 120662554) is 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine is C=C(C)C/N=C(\N)NC1CC(N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
The InChIKey is RTILSNXZHSIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4/c1-10(2)9-20-14(19)21-12-7-13(8-12)22-5-3-11(4-6-22)15(16,17)18/h11-13H,1,3-9H2,2H3,(H3,19,20,21).
What are the key properties of 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine?
2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine has a molecular weight of 318.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine is sourced from PubChem (CID 120662554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).