1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid

C13H13Cl2NO4 — CID 119251616

IUPAC1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H13Cl2NO4/c14-8-1-2-9(10(15)7-8)11(17)16-5-3-13(20,4-6-16)12(18)19/h1-2,7,20H,3-6H2,(H,18,19)
InChIKeyHPIQQFCXALMGKP-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.05
Rot. Bonds2

About 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid

1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251616) has the molecular formula C13H13Cl2NO4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251616
Molecular FormulaC13H13Cl2NO4
Molecular Weight318.16 g/mol
Exact Mass317.02
IUPAC Name1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H13Cl2NO4/c14-8-1-2-9(10(15)7-8)11(17)16-5-3-13(20,4-6-16)12(18)19/h1-2,7,20H,3-6H2,(H,18,19)
InChIKeyHPIQQFCXALMGKP-UHFFFAOYSA-N
XLogP2.05
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(2,4-dichlorophenyl)methanone
CID 81100338
4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
CID 66085866

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251616) is 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(c1ccc(Cl)cc1Cl)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is HPIQQFCXALMGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO4/c14-8-1-2-9(10(15)7-8)11(17)16-5-3-13(20,4-6-16)12(18)19/h1-2,7,20H,3-6H2,(H,18,19).
What are the key properties of 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 318.16 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).