4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid

C13H16Cl2N2O2 — CID 106702355

IUPAC4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(c2cc(Cl)cc(Cl)c2N)CC1
InChIInChI=1S/C13H16Cl2N2O2/c1-17-4-2-13(3-5-17,12(18)19)9-6-8(14)7-10(15)11(9)16/h6-7H,2-5,16H2,1H3,(H,18,19)
InChIKeyZQJSXHFLAXDYPN-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.62
Rot. Bonds2

About 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid

4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid (PubChem CID 106702355) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid
PubChem CID106702355
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)(c2cc(Cl)cc(Cl)c2N)CC1
InChIInChI=1S/C13H16Cl2N2O2/c1-17-4-2-13(3-5-17,12(18)19)9-6-8(14)7-10(15)11(9)16/h6-7H,2-5,16H2,1H3,(H,18,19)
InChIKeyZQJSXHFLAXDYPN-UHFFFAOYSA-N
XLogP2.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-Amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane
CID 174219272
1-(2-Amino-3,5-dichlorophenyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 106702444
2-(5-Chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 10849458
3-(4-Amino-3,5-dichlorophenyl)-4-(tert-butylamino)butanoic acid
CID 57055363
2-(5-Chloro-2-piperidin-1-ylphenyl)acetic acid
CID 70552702
2-[5-Chloro-2-(4-pentan-3-ylpiperidin-1-yl)phenyl]acetic acid
CID 141543905
2-(3,5-Dichloro-4-piperidin-1-ylphenyl)propanoic acid
CID 152374145
(2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid
CID 66513030
2-Amino-2-(2-amino-3,5-dichlorophenyl)acetic acid
CID 77129218
6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 82623832
6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
CID 82625815
2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)acetic acid
CID 82626084

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid (CID 106702355) is 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid is CN1CCC(C(=O)O)(c2cc(Cl)cc(Cl)c2N)CC1.
What is the InChIKey of 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is ZQJSXHFLAXDYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-17-4-2-13(3-5-17,12(18)19)9-6-8(14)7-10(15)11(9)16/h6-7H,2-5,16H2,1H3,(H,18,19).
What are the key properties of 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid?
4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid has a molecular weight of 303.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,5-dichlorophenyl)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106702355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).