(2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride

C15H23Cl2NO — CID 166627976

IUPAC(2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride
SMILESC[C@@H]1CCC[C@H](C)N1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-12-4-3-5-13(2)17(12)10-11-18-15-8-6-14(16)7-9-15;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H/t12-,13+;
InChIKeyVBXVTIXNPLMZHU-OEEJBDNKSA-N
MW304.26 g/mol
LogP4.40
Rot. Bonds4

About (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride

(2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride (PubChem CID 166627976) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride
PubChem CID166627976
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name(2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride
SMILESC[C@@H]1CCC[C@H](C)N1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-12-4-3-5-13(2)17(12)10-11-18-15-8-6-14(16)7-9-15;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H/t12-,13+;
InChIKeyVBXVTIXNPLMZHU-OEEJBDNKSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
The IUPAC name of (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride (CID 166627976) is (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride.
What is the SMILES notation for (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
The canonical SMILES for (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride is C[C@@H]1CCC[C@H](C)N1CCOc1ccc(Cl)cc1.Cl.
What is the InChIKey of (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
The InChIKey is VBXVTIXNPLMZHU-OEEJBDNKSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-12-4-3-5-13(2)17(12)10-11-18-15-8-6-14(16)7-9-15;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H/t12-,13+;.
What are the key properties of (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
(2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-[2-(4-chlorophenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 166627976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).