1-methanimidoylpiperidine-4-carboxylic acid

C7H12N2O2 — CID 175773651

IUPAC1-methanimidoylpiperidine-4-carboxylic acid
SMILES[H]/N=C/N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H12N2O2/c8-5-9-3-1-6(2-4-9)7(10)11/h5-6,8H,1-4H2,(H,10,11)/b8-5+
InChIKeyNHBRKFLNIVTSCC-VMPITWQZSA-N
MW156.19 g/mol
LogP0.39
Rot. Bonds2

About 1-methanimidoylpiperidine-4-carboxylic acid

1-methanimidoylpiperidine-4-carboxylic acid (PubChem CID 175773651) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-methanimidoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methanimidoylpiperidine-4-carboxylic acid
PubChem CID175773651
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-methanimidoylpiperidine-4-carboxylic acid
SMILES[H]/N=C/N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H12N2O2/c8-5-9-3-1-6(2-4-9)7(10)11/h5-6,8H,1-4H2,(H,10,11)/b8-5+
InChIKeyNHBRKFLNIVTSCC-VMPITWQZSA-N
XLogP0.39
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanimidoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-methanimidoylpiperidine-4-carboxylic acid (CID 175773651) is 1-methanimidoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-methanimidoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-methanimidoylpiperidine-4-carboxylic acid is [H]/N=C/N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-methanimidoylpiperidine-4-carboxylic acid?
The InChIKey is NHBRKFLNIVTSCC-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-5-9-3-1-6(2-4-9)7(10)11/h5-6,8H,1-4H2,(H,10,11)/b8-5+.
What are the key properties of 1-methanimidoylpiperidine-4-carboxylic acid?
1-methanimidoylpiperidine-4-carboxylic acid has a molecular weight of 156.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 175773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).