1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol

C14H18Cl3NO2 — CID 2914648

IUPAC1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESOC(COc1c(Cl)cc(Cl)cc1Cl)CN1CCCCC1
InChIInChI=1S/C14H18Cl3NO2/c15-10-6-12(16)14(13(17)7-10)20-9-11(19)8-18-4-2-1-3-5-18/h6-7,11,19H,1-5,8-9H2
InChIKeyPARURLGTYFRKCK-UHFFFAOYSA-N
MW338.66 g/mol
LogP3.87
Rot. Bonds5

About 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol

1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol (PubChem CID 2914648) has the molecular formula C14H18Cl3NO2 and a molecular weight of 338.66 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol
PubChem CID2914648
Molecular FormulaC14H18Cl3NO2
Molecular Weight338.66 g/mol
Exact Mass337.04
IUPAC Name1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESOC(COc1c(Cl)cc(Cl)cc1Cl)CN1CCCCC1
InChIInChI=1S/C14H18Cl3NO2/c15-10-6-12(16)14(13(17)7-10)20-9-11(19)8-18-4-2-1-3-5-18/h6-7,11,19H,1-5,8-9H2
InChIKeyPARURLGTYFRKCK-UHFFFAOYSA-N
XLogP3.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.66
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The IUPAC name of 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol (CID 2914648) is 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol is OC(COc1c(Cl)cc(Cl)cc1Cl)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The InChIKey is PARURLGTYFRKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO2/c15-10-6-12(16)14(13(17)7-10)20-9-11(19)8-18-4-2-1-3-5-18/h6-7,11,19H,1-5,8-9H2.
What are the key properties of 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol?
1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol has a molecular weight of 338.66 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(2,4,6-trichlorophenoxy)propan-2-ol is sourced from PubChem (CID 2914648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).