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

C12H17ClFNO — CID 171194833

IUPAC(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccc([C@@H]2CCCCN2)c(F)c1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-15-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;/h5-6,8,12,14H,2-4,7H2,1H3;1H/t12-;/m0./s1
InChIKeyVEHGLIWTUMBWAJ-YDALLXLXSA-N
MW245.72 g/mol
LogP3.07
Rot. Bonds2

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

(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride (PubChem CID 171194833) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
PubChem CID171194833
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccc([C@@H]2CCCCN2)c(F)c1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-15-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;/h5-6,8,12,14H,2-4,7H2,1H3;1H/t12-;/m0./s1
InChIKeyVEHGLIWTUMBWAJ-YDALLXLXSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
CID 171197142
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
(2R)-2-(2-fluoro-4-methoxyphenyl)piperazine
CID 171194214
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride (CID 171194833) is (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride is COc1ccc([C@@H]2CCCCN2)c(F)c1.Cl.
What is the InChIKey of (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride?
The InChIKey is VEHGLIWTUMBWAJ-YDALLXLXSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-15-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;/h5-6,8,12,14H,2-4,7H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride?
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171194833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).