4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid

C13H19ClN2O6S — CID 3044627

IUPAC4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid
SMILESNC1(C(=O)O)CCN(Cc2ccc(Cl)cc2)CC1.O=S(=O)(O)O
InChIInChI=1S/C13H17ClN2O2.H2O4S/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18;1-5(2,3)4/h1-4H,5-9,15H2,(H,17,18);(H2,1,2,3,4)
InChIKeySFWLTAYWMDYHDB-UHFFFAOYSA-N
MW366.82 g/mol
LogP1.07
Rot. Bonds3

About 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid

4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid (PubChem CID 3044627) has the molecular formula C13H19ClN2O6S and a molecular weight of 366.82 g/mol. Its IUPAC name is 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid.

Molecular Properties

Compound Name4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid
PubChem CID3044627
Molecular FormulaC13H19ClN2O6S
Molecular Weight366.82 g/mol
Exact Mass366.07
IUPAC Name4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid
SMILESNC1(C(=O)O)CCN(Cc2ccc(Cl)cc2)CC1.O=S(=O)(O)O
InChIInChI=1S/C13H17ClN2O2.H2O4S/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18;1-5(2,3)4/h1-4H,5-9,15H2,(H,17,18);(H2,1,2,3,4)
InChIKeySFWLTAYWMDYHDB-UHFFFAOYSA-N
XLogP1.07
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid?
The IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid (CID 3044627) is 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid.
What is the SMILES notation for 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid?
The canonical SMILES for 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid is NC1(C(=O)O)CCN(Cc2ccc(Cl)cc2)CC1.O=S(=O)(O)O.
What is the InChIKey of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid?
The InChIKey is SFWLTAYWMDYHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.H2O4S/c14-11-3-1-10(2-4-11)9-16-7-5-13(15,6-8-16)12(17)18;1-5(2,3)4/h1-4H,5-9,15H2,(H,17,18);(H2,1,2,3,4).
What are the key properties of 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid?
4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid has a molecular weight of 366.82 g/mol, XLogP of 1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid;sulfuric acid is sourced from PubChem (CID 3044627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).