4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine

C16H24FN — CID 169105579

IUPAC4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine
SMILESCCC1(CC)CCN(c2ccc(C)cc2F)CC1
InChIInChI=1S/C16H24FN/c1-4-16(5-2)8-10-18(11-9-16)15-7-6-13(3)12-14(15)17/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyMUZWMCVRWNMACX-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.54
Rot. Bonds3

About 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine

4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine (PubChem CID 169105579) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine.

Molecular Properties

Compound Name4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine
PubChem CID169105579
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine
SMILESCCC1(CC)CCN(c2ccc(C)cc2F)CC1
InChIInChI=1S/C16H24FN/c1-4-16(5-2)8-10-18(11-9-16)15-7-6-13(3)12-14(15)17/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyMUZWMCVRWNMACX-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine?
The IUPAC name of 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine (CID 169105579) is 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine.
What is the SMILES notation for 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine?
The canonical SMILES for 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine is CCC1(CC)CCN(c2ccc(C)cc2F)CC1.
What is the InChIKey of 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine?
The InChIKey is MUZWMCVRWNMACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-16(5-2)8-10-18(11-9-16)15-7-6-13(3)12-14(15)17/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine?
4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine has a molecular weight of 249.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine is sourced from PubChem (CID 169105579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).