1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine

C9H14F5N — CID 59648812

IUPAC1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine
SMILESCN1CCC(CC(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C9H14F5N/c1-15-4-2-7(3-5-15)6-8(10,11)9(12,13)14/h7H,2-6H2,1H3
InChIKeyOMLQCZRQQMMRSV-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.92
Rot. Bonds2

About 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine

1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine (PubChem CID 59648812) has the molecular formula C9H14F5N and a molecular weight of 231.21 g/mol. Its IUPAC name is 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine
PubChem CID59648812
Molecular FormulaC9H14F5N
Molecular Weight231.21 g/mol
Exact Mass231.10
IUPAC Name1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine
SMILESCN1CCC(CC(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C9H14F5N/c1-15-4-2-7(3-5-15)6-8(10,11)9(12,13)14/h7H,2-6H2,1H3
InChIKeyOMLQCZRQQMMRSV-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine?
The IUPAC name of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine (CID 59648812) is 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine?
The canonical SMILES for 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine is CN1CCC(CC(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine?
The InChIKey is OMLQCZRQQMMRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5N/c1-15-4-2-7(3-5-15)6-8(10,11)9(12,13)14/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine?
1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine has a molecular weight of 231.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine is sourced from PubChem (CID 59648812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).