2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

C11H20F3N3 — CID 103370715

IUPAC2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)(C)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-10(2)3-5-17(6-4-10)7-8(9(15)16)11(12,13)14/h8H,3-7H2,1-2H3,(H3,15,16)
InChIKeyPWNNHXQUUFPWFS-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.22
Rot. Bonds3

About 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370715) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370715
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(C)(C)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-10(2)3-5-17(6-4-10)7-8(9(15)16)11(12,13)14/h8H,3-7H2,1-2H3,(H3,15,16)
InChIKeyPWNNHXQUUFPWFS-UHFFFAOYSA-N
XLogP2.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (CID 103370715) is 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN1CCC(C)(C)CC1)C(F)(F)F.
What is the InChIKey of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is PWNNHXQUUFPWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-10(2)3-5-17(6-4-10)7-8(9(15)16)11(12,13)14/h8H,3-7H2,1-2H3,(H3,15,16).
What are the key properties of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 251.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).