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

C15H22Cl2FNO — CID 67045904

IUPAC4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CC(Oc2ccc(F)c(Cl)c2)CC(C)(C)N1.Cl
InChIInChI=1S/C15H21ClFNO.ClH/c1-14(2)8-11(9-15(3,4)18-14)19-10-5-6-13(17)12(16)7-10;/h5-7,11,18H,8-9H2,1-4H3;1H
InChIKeyORJRKMPNDPVACV-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.59
Rot. Bonds2

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

4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride (PubChem CID 67045904) has the molecular formula C15H22Cl2FNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride
PubChem CID67045904
Molecular FormulaC15H22Cl2FNO
Molecular Weight322.25 g/mol
Exact Mass321.11
IUPAC Name4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CC(Oc2ccc(F)c(Cl)c2)CC(C)(C)N1.Cl
InChIInChI=1S/C15H21ClFNO.ClH/c1-14(2)8-11(9-15(3,4)18-14)19-10-5-6-13(17)12(16)7-10;/h5-7,11,18H,8-9H2,1-4H3;1H
InChIKeyORJRKMPNDPVACV-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride (CID 67045904) is 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride is CC1(C)CC(Oc2ccc(F)c(Cl)c2)CC(C)(C)N1.Cl.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride?
The InChIKey is ORJRKMPNDPVACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO.ClH/c1-14(2)8-11(9-15(3,4)18-14)19-10-5-6-13(17)12(16)7-10;/h5-7,11,18H,8-9H2,1-4H3;1H.
What are the key properties of 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride?
4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride has a molecular weight of 322.25 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride is sourced from PubChem (CID 67045904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).