4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine

C14H20FN — CID 84724889

IUPAC4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine
SMILESCc1ccc(C(C)(F)C2CCNCC2)cc1
InChIInChI=1S/C14H20FN/c1-11-3-5-12(6-4-11)14(2,15)13-7-9-16-10-8-13/h3-6,13,16H,7-10H2,1-2H3
InChIKeyRPFRFJWASKXRQN-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.18
Rot. Bonds2

About 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine

4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine (PubChem CID 84724889) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine
PubChem CID84724889
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine
SMILESCc1ccc(C(C)(F)C2CCNCC2)cc1
InChIInChI=1S/C14H20FN/c1-11-3-5-12(6-4-11)14(2,15)13-7-9-16-10-8-13/h3-6,13,16H,7-10H2,1-2H3
InChIKeyRPFRFJWASKXRQN-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine (CID 84724889) is 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine is Cc1ccc(C(C)(F)C2CCNCC2)cc1.
What is the InChIKey of 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine?
The InChIKey is RPFRFJWASKXRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-3-5-12(6-4-11)14(2,15)13-7-9-16-10-8-13/h3-6,13,16H,7-10H2,1-2H3.
What are the key properties of 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine?
4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 84724889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).