(2S)-2-(2-chloro-4-fluorophenyl)piperidine

C11H13ClFN — CID 130642071

IUPAC(2S)-2-(2-chloro-4-fluorophenyl)piperidine
SMILESFc1ccc([C@@H]2CCCCN2)c(Cl)c1
InChIInChI=1S/C11H13ClFN/c12-10-7-8(13)4-5-9(10)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6H2/t11-/m0/s1
InChIKeyJBBDTILJSUYNTC-NSHDSACASA-N
MW213.68 g/mol
LogP3.29
Rot. Bonds1

About (2S)-2-(2-chloro-4-fluorophenyl)piperidine

(2S)-2-(2-chloro-4-fluorophenyl)piperidine (PubChem CID 130642071) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-fluorophenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-fluorophenyl)piperidine
PubChem CID130642071
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(2S)-2-(2-chloro-4-fluorophenyl)piperidine
SMILESFc1ccc([C@@H]2CCCCN2)c(Cl)c1
InChIInChI=1S/C11H13ClFN/c12-10-7-8(13)4-5-9(10)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6H2/t11-/m0/s1
InChIKeyJBBDTILJSUYNTC-NSHDSACASA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-fluorophenyl)piperidine?
The IUPAC name of (2S)-2-(2-chloro-4-fluorophenyl)piperidine (CID 130642071) is (2S)-2-(2-chloro-4-fluorophenyl)piperidine.
What is the SMILES notation for (2S)-2-(2-chloro-4-fluorophenyl)piperidine?
The canonical SMILES for (2S)-2-(2-chloro-4-fluorophenyl)piperidine is Fc1ccc([C@@H]2CCCCN2)c(Cl)c1.
What is the InChIKey of (2S)-2-(2-chloro-4-fluorophenyl)piperidine?
The InChIKey is JBBDTILJSUYNTC-NSHDSACASA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-7-8(13)4-5-9(10)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6H2/t11-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-fluorophenyl)piperidine?
(2S)-2-(2-chloro-4-fluorophenyl)piperidine has a molecular weight of 213.68 g/mol, XLogP of 3.29, 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-4-fluorophenyl)piperidine is sourced from PubChem (CID 130642071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).