1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid

C14H16ClNO4 — CID 106500274

IUPAC1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H16ClNO4/c1-14(13(19)20)4-6-16(7-5-14)12(18)10-8-9(17)2-3-11(10)15/h2-3,8,17H,4-7H2,1H3,(H,19,20)
InChIKeyJVFLMXMEAKXPPU-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.37
Rot. Bonds2

About 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid

1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 106500274) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID106500274
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H16ClNO4/c1-14(13(19)20)4-6-16(7-5-14)12(18)10-8-9(17)2-3-11(10)15/h2-3,8,17H,4-7H2,1H3,(H,19,20)
InChIKeyJVFLMXMEAKXPPU-UHFFFAOYSA-N
XLogP2.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
CID 107160760
1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 107702562
1-(2-chloro-5-pyrrol-1-ylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 166258815
1-(2-chloro-3-fluorobenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 81454562
1-(4-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146558
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
1-(2-bromo-5-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 81110057
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
1-(2,5-dibromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 113354342
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid (CID 106500274) is 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cc(O)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is JVFLMXMEAKXPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-14(13(19)20)4-6-16(7-5-14)12(18)10-8-9(17)2-3-11(10)15/h2-3,8,17H,4-7H2,1H3,(H,19,20).
What are the key properties of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106500274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).