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

C12H16FNO — CID 96773994

IUPAC(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1cc(F)ccc1[C@@H]1CCCCN1
InChIInChI=1S/C12H16FNO/c1-15-12-8-9(13)5-6-10(12)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyWQFAZJKWXZUFKL-NSHDSACASA-N
MW209.26 g/mol
LogP2.65
Rot. Bonds2

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

(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine (PubChem CID 96773994) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
PubChem CID96773994
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1cc(F)ccc1[C@@H]1CCCCN1
InChIInChI=1S/C12H16FNO/c1-15-12-8-9(13)5-6-10(12)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyWQFAZJKWXZUFKL-NSHDSACASA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2S)-2-[2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195272
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine?
The IUPAC name of (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine (CID 96773994) is (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine.
What is the SMILES notation for (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine?
The canonical SMILES for (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine is COc1cc(F)ccc1[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine?
The InChIKey is WQFAZJKWXZUFKL-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12-8-9(13)5-6-10(12)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine?
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine has a molecular weight of 209.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 96773994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).