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

C8H14F2NNo- — CID 177010244

IUPAC4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium
SMILES[CH2-]C1CN(C)CCC1C(F)F.[No]
InChIInChI=1S/C8H14F2N.No/c1-6-5-11(2)4-3-7(6)8(9)10;/h6-8H,1,3-5H2,2H3;/q-1;
InChIKeyYBLRKXCKCFLPBP-UHFFFAOYSA-N
MW421.20 g/mol
LogP1.65
Rot. Bonds1

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

4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium (PubChem CID 177010244) has the molecular formula C8H14F2NNo- and a molecular weight of 421.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium
PubChem CID177010244
Molecular FormulaC8H14F2NNo-
Molecular Weight421.20 g/mol
Exact Mass421.21
IUPAC Name4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium
SMILES[CH2-]C1CN(C)CCC1C(F)F.[No]
InChIInChI=1S/C8H14F2N.No/c1-6-5-11(2)4-3-7(6)8(9)10;/h6-8H,1,3-5H2,2H3;/q-1;
InChIKeyYBLRKXCKCFLPBP-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.20
LogP ≤ 51.65
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;ethane;nobelium
CID 177009918
(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
CID 174116308
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108
3-ethyl-4-methanidyl-1-methylpiperidine;yttrium
CID 58095413
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
ethane;1-methylpyrrolidine-3-thiol
CID 155717252
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
1-methylpyrrolidin-3-amine;sulfanol
CID 143564913
3-fluoro-1-methylpyrrolidine;methoxymethane
CID 162743316
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium?
The IUPAC name of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium (CID 177010244) is 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium.
What is the SMILES notation for 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium?
The canonical SMILES for 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium is [CH2-]C1CN(C)CCC1C(F)F.[No].
What is the InChIKey of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium?
The InChIKey is YBLRKXCKCFLPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N.No/c1-6-5-11(2)4-3-7(6)8(9)10;/h6-8H,1,3-5H2,2H3;/q-1;.
What are the key properties of 4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium?
4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium has a molecular weight of 421.20 g/mol, XLogP of 1.65, 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;nobelium is sourced from PubChem (CID 177010244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).