4-(3,4-dichlorophenoxy)piperidin-3-ol

C11H13Cl2NO2 — CID 13192251

IUPAC4-(3,4-dichlorophenoxy)piperidin-3-ol
SMILESOC1CNCCC1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c12-8-2-1-7(5-9(8)13)16-11-3-4-14-6-10(11)15/h1-2,5,10-11,14-15H,3-4,6H2
InChIKeyWQGZCZRDAWSRQX-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.10
Rot. Bonds2

About 4-(3,4-dichlorophenoxy)piperidin-3-ol

4-(3,4-dichlorophenoxy)piperidin-3-ol (PubChem CID 13192251) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)piperidin-3-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)piperidin-3-ol
PubChem CID13192251
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name4-(3,4-dichlorophenoxy)piperidin-3-ol
SMILESOC1CNCCC1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c12-8-2-1-7(5-9(8)13)16-11-3-4-14-6-10(11)15/h1-2,5,10-11,14-15H,3-4,6H2
InChIKeyWQGZCZRDAWSRQX-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenoxy)piperidin-3-ol?
The IUPAC name of 4-(3,4-dichlorophenoxy)piperidin-3-ol (CID 13192251) is 4-(3,4-dichlorophenoxy)piperidin-3-ol.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)piperidin-3-ol?
The canonical SMILES for 4-(3,4-dichlorophenoxy)piperidin-3-ol is OC1CNCCC1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenoxy)piperidin-3-ol?
The InChIKey is WQGZCZRDAWSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-8-2-1-7(5-9(8)13)16-11-3-4-14-6-10(11)15/h1-2,5,10-11,14-15H,3-4,6H2.
What are the key properties of 4-(3,4-dichlorophenoxy)piperidin-3-ol?
4-(3,4-dichlorophenoxy)piperidin-3-ol has a molecular weight of 262.14 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)piperidin-3-ol is sourced from PubChem (CID 13192251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).