(4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone

C12H13Cl2NO2 — CID 82553924

IUPAC(4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone
SMILESO=C(c1cc(Cl)c(Cl)cc1O)C1CCNCC1
InChIInChI=1S/C12H13Cl2NO2/c13-9-5-8(11(16)6-10(9)14)12(17)7-1-3-15-4-2-7/h5-7,15-16H,1-4H2
InChIKeyIODUBRNCUNBFEA-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.88
Rot. Bonds2

About (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone

(4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone (PubChem CID 82553924) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone
PubChem CID82553924
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone
SMILESO=C(c1cc(Cl)c(Cl)cc1O)C1CCNCC1
InChIInChI=1S/C12H13Cl2NO2/c13-9-5-8(11(16)6-10(9)14)12(17)7-1-3-15-4-2-7/h5-7,15-16H,1-4H2
InChIKeyIODUBRNCUNBFEA-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone (CID 82553924) is (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone is O=C(c1cc(Cl)c(Cl)cc1O)C1CCNCC1.
What is the InChIKey of (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone?
The InChIKey is IODUBRNCUNBFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-5-8(11(16)6-10(9)14)12(17)7-1-3-15-4-2-7/h5-7,15-16H,1-4H2.
What are the key properties of (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone?
(4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone has a molecular weight of 274.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82553924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).