4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium

C10H20F2NNo- — CID 177009918

IUPAC4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium
SMILESCC.[CH2-]C1CN(C)CCC1C(F)F.[No]
InChIInChI=1S/C8H14F2N.C2H6.No/c1-6-5-11(2)4-3-7(6)8(9)10;1-2;/h6-8H,1,3-5H2,2H3;1-2H3;/q-1;;
InChIKeyVPVKUHBZKUJUMT-UHFFFAOYSA-N
MW451.27 g/mol
LogP2.68
Rot. Bonds1

About 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium

4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium (PubChem CID 177009918) has the molecular formula C10H20F2NNo- and a molecular weight of 451.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium
PubChem CID177009918
Molecular FormulaC10H20F2NNo-
Molecular Weight451.27 g/mol
Exact Mass451.26
IUPAC Name4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium
SMILESCC.[CH2-]C1CN(C)CCC1C(F)F.[No]
InChIInChI=1S/C8H14F2N.C2H6.No/c1-6-5-11(2)4-3-7(6)8(9)10;1-2;/h6-8H,1,3-5H2,2H3;1-2H3;/q-1;;
InChIKeyVPVKUHBZKUJUMT-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium
CID 177010244
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
ethane;1-methylpyrrolidine-3-thiol
CID 155717252
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
CID 174116308
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
3-ethyl-4-methanidyl-1-methylpiperidine;yttrium
CID 58095413
(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane
CID 177157525
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium?
The IUPAC name of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium (CID 177009918) is 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium.
What is the SMILES notation for 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium?
The canonical SMILES for 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium is CC.[CH2-]C1CN(C)CCC1C(F)F.[No].
What is the InChIKey of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium?
The InChIKey is VPVKUHBZKUJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N.C2H6.No/c1-6-5-11(2)4-3-7(6)8(9)10;1-2;/h6-8H,1,3-5H2,2H3;1-2H3;/q-1;;.
What are the key properties of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium?
4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium has a molecular weight of 451.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium is sourced from PubChem (CID 177009918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).