1-methanehydrazonoylpiperidine-4-carboxylic acid

C7H13N3O2 — CID 53403068

IUPAC1-methanehydrazonoylpiperidine-4-carboxylic acid
SMILESNN=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13N3O2/c8-9-5-10-3-1-6(2-4-10)7(11)12/h5-6H,1-4,8H2,(H,11,12)
InChIKeyBWZFLXYQWXOXSP-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.31
Rot. Bonds2

About 1-methanehydrazonoylpiperidine-4-carboxylic acid

1-methanehydrazonoylpiperidine-4-carboxylic acid (PubChem CID 53403068) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-methanehydrazonoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methanehydrazonoylpiperidine-4-carboxylic acid
PubChem CID53403068
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-methanehydrazonoylpiperidine-4-carboxylic acid
SMILESNN=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13N3O2/c8-9-5-10-3-1-6(2-4-10)7(11)12/h5-6H,1-4,8H2,(H,11,12)
InChIKeyBWZFLXYQWXOXSP-UHFFFAOYSA-N
XLogP-0.31
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanehydrazonoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-methanehydrazonoylpiperidine-4-carboxylic acid (CID 53403068) is 1-methanehydrazonoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-methanehydrazonoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-methanehydrazonoylpiperidine-4-carboxylic acid is NN=CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-methanehydrazonoylpiperidine-4-carboxylic acid?
The InChIKey is BWZFLXYQWXOXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-9-5-10-3-1-6(2-4-10)7(11)12/h5-6H,1-4,8H2,(H,11,12).
What are the key properties of 1-methanehydrazonoylpiperidine-4-carboxylic acid?
1-methanehydrazonoylpiperidine-4-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanehydrazonoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 53403068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).