N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine

C14H21F6N3 — CID 166858747

IUPACN-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine
SMILESCN=C(N1CCC(C(F)(F)F)CC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F6N3/c1-21-12(22-6-2-10(3-7-22)13(15,16)17)23-8-4-11(5-9-23)14(18,19)20/h10-11H,2-9H2,1H3
InChIKeyFASBTJJEKNPVOC-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.52
Rot. Bonds

About N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine

N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine (PubChem CID 166858747) has the molecular formula C14H21F6N3 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine
PubChem CID166858747
Molecular FormulaC14H21F6N3
Molecular Weight345.33 g/mol
Exact Mass345.16
IUPAC NameN-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine
SMILESCN=C(N1CCC(C(F)(F)F)CC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F6N3/c1-21-12(22-6-2-10(3-7-22)13(15,16)17)23-8-4-11(5-9-23)14(18,19)20/h10-11H,2-9H2,1H3
InChIKeyFASBTJJEKNPVOC-UHFFFAOYSA-N
XLogP3.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine?
The IUPAC name of N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine (CID 166858747) is N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine.
What is the SMILES notation for N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine?
The canonical SMILES for N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine is CN=C(N1CCC(C(F)(F)F)CC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine?
The InChIKey is FASBTJJEKNPVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6N3/c1-21-12(22-6-2-10(3-7-22)13(15,16)17)23-8-4-11(5-9-23)14(18,19)20/h10-11H,2-9H2,1H3.
What are the key properties of N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine?
N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine has a molecular weight of 345.33 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine is sourced from PubChem (CID 166858747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).