1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine

C14H27F3N4 — CID 100639726

IUPAC1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
SMILESCN(C)C(=NCCC1CCN(CC(F)(F)F)CC1)N(C)C
InChIInChI=1S/C14H27F3N4/c1-19(2)13(20(3)4)18-8-5-12-6-9-21(10-7-12)11-14(15,16)17/h12H,5-11H2,1-4H3
InChIKeyOKQJCIBWYSNXLM-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.13
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine

1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine (PubChem CID 100639726) has the molecular formula C14H27F3N4 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
PubChem CID100639726
Molecular FormulaC14H27F3N4
Molecular Weight308.39 g/mol
Exact Mass308.22
IUPAC Name1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
SMILESCN(C)C(=NCCC1CCN(CC(F)(F)F)CC1)N(C)C
InChIInChI=1S/C14H27F3N4/c1-19(2)13(20(3)4)18-8-5-12-6-9-21(10-7-12)11-14(15,16)17/h12H,5-11H2,1-4H3
InChIKeyOKQJCIBWYSNXLM-UHFFFAOYSA-N
XLogP2.13
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine (CID 100639726) is 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine is CN(C)C(=NCCC1CCN(CC(F)(F)F)CC1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
The InChIKey is OKQJCIBWYSNXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4/c1-19(2)13(20(3)4)18-8-5-12-6-9-21(10-7-12)11-14(15,16)17/h12H,5-11H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine has a molecular weight of 308.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine is sourced from PubChem (CID 100639726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).