3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine

C16H21F4N — CID 116536422

IUPAC3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine
SMILESCC1(CCCC(F)(F)F)CCNCC1c1ccccc1F
InChIInChI=1S/C16H21F4N/c1-15(7-4-8-16(18,19)20)9-10-21-11-13(15)12-5-2-3-6-14(12)17/h2-3,5-6,13,21H,4,7-11H2,1H3
InChIKeyACRIKYWYFZUXGE-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.64
Rot. Bonds4

About 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine

3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine (PubChem CID 116536422) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine
PubChem CID116536422
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine
SMILESCC1(CCCC(F)(F)F)CCNCC1c1ccccc1F
InChIInChI=1S/C16H21F4N/c1-15(7-4-8-16(18,19)20)9-10-21-11-13(15)12-5-2-3-6-14(12)17/h2-3,5-6,13,21H,4,7-11H2,1H3
InChIKeyACRIKYWYFZUXGE-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine?
The IUPAC name of 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine (CID 116536422) is 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine?
The canonical SMILES for 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine is CC1(CCCC(F)(F)F)CCNCC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine?
The InChIKey is ACRIKYWYFZUXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-15(7-4-8-16(18,19)20)9-10-21-11-13(15)12-5-2-3-6-14(12)17/h2-3,5-6,13,21H,4,7-11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine?
3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine has a molecular weight of 303.34 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine is sourced from PubChem (CID 116536422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).