(4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

C16H16Cl2N2O2 — CID 78839633

IUPAC(4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c(Cl)[nH]1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H16Cl2N2O2/c17-13-9-14(19-15(13)18)16(22)20-7-5-11(6-8-20)10-1-3-12(21)4-2-10/h1-4,9,11,19,21H,5-8H2
InChIKeyPHEJAIPORSUDMJ-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.05
Rot. Bonds2

About (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

(4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (PubChem CID 78839633) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
PubChem CID78839633
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name(4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c(Cl)[nH]1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H16Cl2N2O2/c17-13-9-14(19-15(13)18)16(22)20-7-5-11(6-8-20)10-1-3-12(21)4-2-10/h1-4,9,11,19,21H,5-8H2
InChIKeyPHEJAIPORSUDMJ-UHFFFAOYSA-N
XLogP4.05
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (CID 78839633) is (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The InChIKey is PHEJAIPORSUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-13-9-14(19-15(13)18)16(22)20-7-5-11(6-8-20)10-1-3-12(21)4-2-10/h1-4,9,11,19,21H,5-8H2.
What are the key properties of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone has a molecular weight of 339.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 78839633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).