3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol

C13H17Cl2NO2 — CID 59205675

IUPAC3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol
SMILESCN1CCC(COc2c(Cl)cc(O)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2NO2/c1-16-4-2-9(3-5-16)8-18-13-11(14)6-10(17)7-12(13)15/h6-7,9,17H,2-5,8H2,1H3
InChIKeyXBMCMLCKXBWOFF-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.42
Rot. Bonds3

About 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol

3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol (PubChem CID 59205675) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol
PubChem CID59205675
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol
SMILESCN1CCC(COc2c(Cl)cc(O)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2NO2/c1-16-4-2-9(3-5-16)8-18-13-11(14)6-10(17)7-12(13)15/h6-7,9,17H,2-5,8H2,1H3
InChIKeyXBMCMLCKXBWOFF-UHFFFAOYSA-N
XLogP3.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol (CID 59205675) is 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol is CN1CCC(COc2c(Cl)cc(O)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol?
The InChIKey is XBMCMLCKXBWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-16-4-2-9(3-5-16)8-18-13-11(14)6-10(17)7-12(13)15/h6-7,9,17H,2-5,8H2,1H3.
What are the key properties of 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol?
3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol has a molecular weight of 290.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol is sourced from PubChem (CID 59205675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).