(2S)-2-(4-fluoro-2-methylphenyl)piperidine

C12H16FN — CID 55278633

IUPAC(2S)-2-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1[C@@H]1CCCCN1
InChIInChI=1S/C12H16FN/c1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3/t12-/m0/s1
InChIKeyOSTSQXGYZFEDJR-LBPRGKRZSA-N
MW193.27 g/mol
LogP2.95
Rot. Bonds1

About (2S)-2-(4-fluoro-2-methylphenyl)piperidine

(2S)-2-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 55278633) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-2-methylphenyl)piperidine
PubChem CID55278633
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name(2S)-2-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1[C@@H]1CCCCN1
InChIInChI=1S/C12H16FN/c1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3/t12-/m0/s1
InChIKeyOSTSQXGYZFEDJR-LBPRGKRZSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
2-(2-methyl-4-methylsulfinylphenyl)azepane
CID 163719044
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of (2S)-2-(4-fluoro-2-methylphenyl)piperidine (CID 55278633) is (2S)-2-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for (2S)-2-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for (2S)-2-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is OSTSQXGYZFEDJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-2-methylphenyl)piperidine?
(2S)-2-(4-fluoro-2-methylphenyl)piperidine has a molecular weight of 193.27 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 55278633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).