1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride

C15H25Cl2N3O3 — CID 174558359

IUPAC1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride
SMILESCN(C)C=O.Cl.Cl.Nc1ccc(N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C12H16N2O2.C3H7NO.2ClH/c13-10-1-3-11(4-2-10)14-7-5-9(6-8-14)12(15)16;1-4(2)3-5;;/h1-4,9H,5-8,13H2,(H,15,16);3H,1-2H3;2*1H
InChIKeyYIRSGYXNAQBWOZ-UHFFFAOYSA-N
MW366.29 g/mol
LogP2.12
Rot. Bonds3

About 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride

1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride (PubChem CID 174558359) has the molecular formula C15H25Cl2N3O3 and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride
PubChem CID174558359
Molecular FormulaC15H25Cl2N3O3
Molecular Weight366.29 g/mol
Exact Mass365.13
IUPAC Name1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride
SMILESCN(C)C=O.Cl.Cl.Nc1ccc(N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C12H16N2O2.C3H7NO.2ClH/c13-10-1-3-11(4-2-10)14-7-5-9(6-8-14)12(15)16;1-4(2)3-5;;/h1-4,9H,5-8,13H2,(H,15,16);3H,1-2H3;2*1H
InChIKeyYIRSGYXNAQBWOZ-UHFFFAOYSA-N
XLogP2.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride?
The IUPAC name of 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride (CID 174558359) is 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride?
The canonical SMILES for 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride is CN(C)C=O.Cl.Cl.Nc1ccc(N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride?
The InChIKey is YIRSGYXNAQBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C3H7NO.2ClH/c13-10-1-3-11(4-2-10)14-7-5-9(6-8-14)12(15)16;1-4(2)3-5;;/h1-4,9H,5-8,13H2,(H,15,16);3H,1-2H3;2*1H.
What are the key properties of 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride?
1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride has a molecular weight of 366.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride is sourced from PubChem (CID 174558359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).