1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane

C9H16F3N — CID 54257027

IUPAC1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
SMILESC=C1CCN(C)CC1.CC(F)(F)F
InChIInChI=1S/C7H13N.C2H3F3/c1-7-3-5-8(2)6-4-7;1-2(3,4)5/h1,3-6H2,2H3;1H3
InChIKeyRAUJAHRWKNPZDN-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.84
Rot. Bonds

About 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane

1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane (PubChem CID 54257027) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane.

Molecular Properties

Compound Name1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
PubChem CID54257027
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
SMILESC=C1CCN(C)CC1.CC(F)(F)F
InChIInChI=1S/C7H13N.C2H3F3/c1-7-3-5-8(2)6-4-7;1-2(3,4)5/h1,3-6H2,2H3;1H3
InChIKeyRAUJAHRWKNPZDN-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane?
The IUPAC name of 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane (CID 54257027) is 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane.
What is the SMILES notation for 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane?
The canonical SMILES for 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane is C=C1CCN(C)CC1.CC(F)(F)F.
What is the InChIKey of 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane?
The InChIKey is RAUJAHRWKNPZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H3F3/c1-7-3-5-8(2)6-4-7;1-2(3,4)5/h1,3-6H2,2H3;1H3.
What are the key properties of 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane?
1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane has a molecular weight of 195.23 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidenepiperidine;1,1,1-trifluoroethane is sourced from PubChem (CID 54257027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).