4-(2,6-difluorophenoxy)piperidine;hydrochloride

C11H14ClF2NO — CID 170912049

IUPAC4-(2,6-difluorophenoxy)piperidine;hydrochloride
SMILESCl.Fc1cccc(F)c1OC1CCNCC1
InChIInChI=1S/C11H13F2NO.ClH/c12-9-2-1-3-10(13)11(9)15-8-4-6-14-7-5-8;/h1-3,8,14H,4-7H2;1H
InChIKeyPRHGDTSPUPGZKH-UHFFFAOYSA-N
MW249.69 g/mol
LogP2.52
Rot. Bonds2

About 4-(2,6-difluorophenoxy)piperidine;hydrochloride

4-(2,6-difluorophenoxy)piperidine;hydrochloride (PubChem CID 170912049) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is 4-(2,6-difluorophenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,6-difluorophenoxy)piperidine;hydrochloride
PubChem CID170912049
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name4-(2,6-difluorophenoxy)piperidine;hydrochloride
SMILESCl.Fc1cccc(F)c1OC1CCNCC1
InChIInChI=1S/C11H13F2NO.ClH/c12-9-2-1-3-10(13)11(9)15-8-4-6-14-7-5-8;/h1-3,8,14H,4-7H2;1H
InChIKeyPRHGDTSPUPGZKH-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(2,6-difluorophenoxy)piperidine;hydrochloride (CID 170912049) is 4-(2,6-difluorophenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,6-difluorophenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(2,6-difluorophenoxy)piperidine;hydrochloride is Cl.Fc1cccc(F)c1OC1CCNCC1.
What is the InChIKey of 4-(2,6-difluorophenoxy)piperidine;hydrochloride?
The InChIKey is PRHGDTSPUPGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO.ClH/c12-9-2-1-3-10(13)11(9)15-8-4-6-14-7-5-8;/h1-3,8,14H,4-7H2;1H.
What are the key properties of 4-(2,6-difluorophenoxy)piperidine;hydrochloride?
4-(2,6-difluorophenoxy)piperidine;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenoxy)piperidine;hydrochloride is sourced from PubChem (CID 170912049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).