1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine

C15H30F2N4 — CID 111994171

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H30F2N4/c1-4-12(5-2)10-19-15(18-3)20-13-6-8-21(9-7-13)11-14(16)17/h12-14H,4-11H2,1-3H3,(H2,18,19,20)
InChIKeyWWSWLDHMOLGDDB-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.32
Rot. Bonds7

About 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine (PubChem CID 111994171) has the molecular formula C15H30F2N4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine
PubChem CID111994171
Molecular FormulaC15H30F2N4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H30F2N4/c1-4-12(5-2)10-19-15(18-3)20-13-6-8-21(9-7-13)11-14(16)17/h12-14H,4-11H2,1-3H3,(H2,18,19,20)
InChIKeyWWSWLDHMOLGDDB-UHFFFAOYSA-N
XLogP2.32
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.32
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

N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536343
N'-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536533
N'-tert-butyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536728
N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538461
N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539039
N'-(2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539230
4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 91659422
N'-methyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376058
N'-methyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376059
N-(3-cyclopropylpropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376074
N-(3-cyclopropylpropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376075
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376134

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine (CID 111994171) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine is CCC(CC)CN/C(=N\C)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine?
The InChIKey is WWSWLDHMOLGDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N4/c1-4-12(5-2)10-19-15(18-3)20-13-6-8-21(9-7-13)11-14(16)17/h12-14H,4-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine has a molecular weight of 304.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-ethylbutyl)-2-methylguanidine is sourced from PubChem (CID 111994171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).