1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

C16H24ClNO2 — CID 2853529

IUPAC1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-12-4-3-5-13(2)18(12)10-15(19)11-20-16-8-6-14(17)7-9-16/h6-9,12-13,15,19H,3-5,10-11H2,1-2H3
InChIKeyVBRPHTQWMPRTIL-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 2853529) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID2853529
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-12-4-3-5-13(2)18(12)10-15(19)11-20-16-8-6-14(17)7-9-16/h6-9,12-13,15,19H,3-5,10-11H2,1-2H3
InChIKeyVBRPHTQWMPRTIL-UHFFFAOYSA-N
XLogP3.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (CID 2853529) is 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is CC1CCCC(C)N1CC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is VBRPHTQWMPRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12-4-3-5-13(2)18(12)10-15(19)11-20-16-8-6-14(17)7-9-16/h6-9,12-13,15,19H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 2853529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).