3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine

C15H22FN — CID 112564951

IUPAC3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
SMILESCc1cc(C)cc(C(C)(F)C2CCCNC2)c1
InChIInChI=1S/C15H22FN/c1-11-7-12(2)9-14(8-11)15(3,16)13-5-4-6-17-10-13/h7-9,13,17H,4-6,10H2,1-3H3
InChIKeyVEZMAHRRLPVFKN-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.49
Rot. Bonds2

About 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine

3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine (PubChem CID 112564951) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
PubChem CID112564951
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
SMILESCc1cc(C)cc(C(C)(F)C2CCCNC2)c1
InChIInChI=1S/C15H22FN/c1-11-7-12(2)9-14(8-11)15(3,16)13-5-4-6-17-10-13/h7-9,13,17H,4-6,10H2,1-3H3
InChIKeyVEZMAHRRLPVFKN-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine (CID 112564951) is 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine is Cc1cc(C)cc(C(C)(F)C2CCCNC2)c1.
What is the InChIKey of 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine?
The InChIKey is VEZMAHRRLPVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-7-12(2)9-14(8-11)15(3,16)13-5-4-6-17-10-13/h7-9,13,17H,4-6,10H2,1-3H3.
What are the key properties of 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine?
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine has a molecular weight of 235.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112564951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).