[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone

C19H17Cl2NO3 — CID 24615468

IUPAC[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H17Cl2NO3/c20-14-3-6-16(17(21)11-14)19(25)22-9-7-13(8-10-22)18(24)12-1-4-15(23)5-2-12/h1-6,11,13,23H,7-10H2
InChIKeyBXDJROIZXWIXHM-UHFFFAOYSA-N
MW378.25 g/mol
LogP4.43
Rot. Bonds3

About [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone

[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone (PubChem CID 24615468) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.25 g/mol. Its IUPAC name is [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
PubChem CID24615468
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.25 g/mol
Exact Mass377.06
IUPAC Name[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H17Cl2NO3/c20-14-3-6-16(17(21)11-14)19(25)22-9-7-13(8-10-22)18(24)12-1-4-15(23)5-2-12/h1-6,11,13,23H,7-10H2
InChIKeyBXDJROIZXWIXHM-UHFFFAOYSA-N
XLogP4.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
CID 155555471
(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155569023
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
N-(3-chlorophenyl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 17445680

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone (CID 24615468) is [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is BXDJROIZXWIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c20-14-3-6-16(17(21)11-14)19(25)22-9-7-13(8-10-22)18(24)12-1-4-15(23)5-2-12/h1-6,11,13,23H,7-10H2.
What are the key properties of [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 378.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 24615468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).