4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride

C16H24Cl2FNO — CID 67046012

IUPAC4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride
SMILESCN1C(C)(C)CC(Oc2ccc(Cl)c(F)c2)CC1(C)C.Cl
InChIInChI=1S/C16H23ClFNO.ClH/c1-15(2)9-12(10-16(3,4)19(15)5)20-11-6-7-13(17)14(18)8-11;/h6-8,12H,9-10H2,1-5H3;1H
InChIKeyVEINOPRJVRYQAQ-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.93
Rot. Bonds2

About 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride

4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride (PubChem CID 67046012) has the molecular formula C16H24Cl2FNO and a molecular weight of 336.28 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride
PubChem CID67046012
Molecular FormulaC16H24Cl2FNO
Molecular Weight336.28 g/mol
Exact Mass335.12
IUPAC Name4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride
SMILESCN1C(C)(C)CC(Oc2ccc(Cl)c(F)c2)CC1(C)C.Cl
InChIInChI=1S/C16H23ClFNO.ClH/c1-15(2)9-12(10-16(3,4)19(15)5)20-11-6-7-13(17)14(18)8-11;/h6-8,12H,9-10H2,1-5H3;1H
InChIKeyVEINOPRJVRYQAQ-UHFFFAOYSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride (CID 67046012) is 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride is CN1C(C)(C)CC(Oc2ccc(Cl)c(F)c2)CC1(C)C.Cl.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride?
The InChIKey is VEINOPRJVRYQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO.ClH/c1-15(2)9-12(10-16(3,4)19(15)5)20-11-6-7-13(17)14(18)8-11;/h6-8,12H,9-10H2,1-5H3;1H.
What are the key properties of 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride?
4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride has a molecular weight of 336.28 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenoxy)-1,2,2,6,6-pentamethylpiperidine;hydrochloride is sourced from PubChem (CID 67046012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).