4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid

C14H16ClNO5 — CID 23136847

IUPAC4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO5/c1-13(11(17)18)8-16(12(19)20)7-6-14(13,21)9-2-4-10(15)5-3-9/h2-5,21H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyBGCRKPWYQMNKST-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.00
Rot. Bonds2

About 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid

4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid (PubChem CID 23136847) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
PubChem CID23136847
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO5/c1-13(11(17)18)8-16(12(19)20)7-6-14(13,21)9-2-4-10(15)5-3-9/h2-5,21H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyBGCRKPWYQMNKST-UHFFFAOYSA-N
XLogP2.00
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
CID 67299829
4-(4-chlorophenyl)-3-[(2-ethoxy-2-oxoethoxy)methyl]-4-hydroxy-3-methylpiperidine-1-carboxylic acid
CID 23136948
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146609
2-amino-1-[(3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxy-3-methylpiperidin-1-yl]-3-methylbutan-1-one
CID 67953941
2-(chloroamino)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methylbutan-1-one
CID 88958386
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 77262310
(2R)-2-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]butan-1-one;hydrochloride
CID 173061405
3-amino-1-[(4R)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]butan-1-one;hydrochloride
CID 173117293
3-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-4-methylpentan-1-one
CID 59444222
4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid
CID 68843210
[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874970

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid (CID 23136847) is 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid is CC1(C(=O)O)CN(C(=O)O)CCC1(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
The InChIKey is BGCRKPWYQMNKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5/c1-13(11(17)18)8-16(12(19)20)7-6-14(13,21)9-2-4-10(15)5-3-9/h2-5,21H,6-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 23136847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).