4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride

C11H14Cl2FN — CID 69228079

IUPAC4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(C2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H13ClFN.ClH/c12-11-7-9(13)1-2-10(11)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
InChIKeyPEVHSOHDGPADFJ-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.37
Rot. Bonds1

About 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride

4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride (PubChem CID 69228079) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride
PubChem CID69228079
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(C2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H13ClFN.ClH/c12-11-7-9(13)1-2-10(11)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
InChIKeyPEVHSOHDGPADFJ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride (CID 69228079) is 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride is Cl.Fc1ccc(C2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride?
The InChIKey is PEVHSOHDGPADFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN.ClH/c12-11-7-9(13)1-2-10(11)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H.
What are the key properties of 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride?
4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride has a molecular weight of 250.14 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)piperidine;hydrochloride is sourced from PubChem (CID 69228079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).