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

C18H17Cl2NO2 — CID 155560830

IUPAC(2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H17Cl2NO2/c19-14-10-15(20)17(16(22)11-14)18(23)21-8-6-13(7-9-21)12-4-2-1-3-5-12/h1-5,10-11,13,22H,6-9H2
InChIKeyJVMDQTIGMZDAJW-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.72
Rot. Bonds2

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

(2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 155560830) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID155560830
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name(2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H17Cl2NO2/c19-14-10-15(20)17(16(22)11-14)18(23)21-8-6-13(7-9-21)12-4-2-1-3-5-12/h1-5,10-11,13,22H,6-9H2
InChIKeyJVMDQTIGMZDAJW-UHFFFAOYSA-N
XLogP4.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone (CID 155560830) is (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is JVMDQTIGMZDAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c19-14-10-15(20)17(16(22)11-14)18(23)21-8-6-13(7-9-21)12-4-2-1-3-5-12/h1-5,10-11,13,22H,6-9H2.
What are the key properties of (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
(2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 350.25 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 155560830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).