4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine

C14H20FN — CID 58103875

IUPAC4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccccc2CCF)CC1
InChIInChI=1S/C14H20FN/c1-16-10-7-13(8-11-16)14-5-3-2-4-12(14)6-9-15/h2-5,13H,6-11H2,1H3
InChIKeyDFLBRYOYXWMKGS-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.01
Rot. Bonds3

About 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine

4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine (PubChem CID 58103875) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine
PubChem CID58103875
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccccc2CCF)CC1
InChIInChI=1S/C14H20FN/c1-16-10-7-13(8-11-16)14-5-3-2-4-12(14)6-9-15/h2-5,13H,6-11H2,1H3
InChIKeyDFLBRYOYXWMKGS-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine?
The IUPAC name of 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine (CID 58103875) is 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine is CN1CCC(c2ccccc2CCF)CC1.
What is the InChIKey of 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine?
The InChIKey is DFLBRYOYXWMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-16-10-7-13(8-11-16)14-5-3-2-4-12(14)6-9-15/h2-5,13H,6-11H2,1H3.
What are the key properties of 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine?
4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine has a molecular weight of 221.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine is sourced from PubChem (CID 58103875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).