(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride

C11H14Cl2FN — CID 171194835

IUPAC(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1[C@@H]1CCCCN1
InChIInChI=1S/C11H13ClFN.ClH/c12-8-4-3-5-9(13)11(8)10-6-1-2-7-14-10;/h3-5,10,14H,1-2,6-7H2;1H/t10-;/m0./s1
InChIKeyNOLBYWCZUOFGNM-PPHPATTJSA-N
MW250.14 g/mol
LogP3.72
Rot. Bonds1

About (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride

(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride (PubChem CID 171194835) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
PubChem CID171194835
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1[C@@H]1CCCCN1
InChIInChI=1S/C11H13ClFN.ClH/c12-8-4-3-5-9(13)11(8)10-6-1-2-7-14-10;/h3-5,10,14H,1-2,6-7H2;1H/t10-;/m0./s1
InChIKeyNOLBYWCZUOFGNM-PPHPATTJSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2-(2-ethyl-6-fluorophenyl)pyrrolidine
CID 55295804
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615
2-(2-chloro-6-methylsulfonylphenyl)piperidine
CID 117437278
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
3-(2-chloro-6-fluorophenyl)-1-methylpiperazine
CID 82288330
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride (CID 171194835) is (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride is Cl.Fc1cccc(Cl)c1[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride?
The InChIKey is NOLBYWCZUOFGNM-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13ClFN.ClH/c12-8-4-3-5-9(13)11(8)10-6-1-2-7-14-10;/h3-5,10,14H,1-2,6-7H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride?
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride has a molecular weight of 250.14 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride is sourced from PubChem (CID 171194835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).