(4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone

C19H19Cl2NO2 — CID 155520428

IUPAC(4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H19Cl2NO2/c20-15-11-16(21)18(17(23)12-15)19(24)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14,23H,6-10H2
InChIKeyWIHHVTLAHJADRG-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.79
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone

(4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone (PubChem CID 155520428) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone
PubChem CID155520428
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H19Cl2NO2/c20-15-11-16(21)18(17(23)12-15)19(24)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14,23H,6-10H2
InChIKeyWIHHVTLAHJADRG-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone (CID 155520428) is (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone?
The InChIKey is WIHHVTLAHJADRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-15-11-16(21)18(17(23)12-15)19(24)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14,23H,6-10H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone?
(4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone has a molecular weight of 364.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 155520428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).