3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine

C15H22FN — CID 112564824

IUPAC3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
SMILESCc1ccc(CC(C)(F)C2CCCNC2)cc1
InChIInChI=1S/C15H22FN/c1-12-5-7-13(8-6-12)10-15(2,16)14-4-3-9-17-11-14/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyCKDKHSOROSEICO-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.27
Rot. Bonds3

About 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine

3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine (PubChem CID 112564824) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
PubChem CID112564824
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
SMILESCc1ccc(CC(C)(F)C2CCCNC2)cc1
InChIInChI=1S/C15H22FN/c1-12-5-7-13(8-6-12)10-15(2,16)14-4-3-9-17-11-14/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyCKDKHSOROSEICO-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine?
The IUPAC name of 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine (CID 112564824) is 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine.
What is the SMILES notation for 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine?
The canonical SMILES for 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine is Cc1ccc(CC(C)(F)C2CCCNC2)cc1.
What is the InChIKey of 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine?
The InChIKey is CKDKHSOROSEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12-5-7-13(8-6-12)10-15(2,16)14-4-3-9-17-11-14/h5-8,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine?
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine has a molecular weight of 235.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine is sourced from PubChem (CID 112564824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).