1-pyridin-4-ylpiperidine-4-carboximidoyl chloride

C11H14ClN3 — CID 22096509

IUPAC1-pyridin-4-ylpiperidine-4-carboximidoyl chloride
SMILES[H]/N=C(\Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C11H14ClN3/c12-11(13)9-3-7-15(8-4-9)10-1-5-14-6-2-10/h1-2,5-6,9,13H,3-4,7-8H2/b13-11-
InChIKeyUHBIYCBBEXYDAX-QBFSEMIESA-N
MW223.71 g/mol
LogP2.51
Rot. Bonds2

About 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride

1-pyridin-4-ylpiperidine-4-carboximidoyl chloride (PubChem CID 22096509) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride.

Molecular Properties

Compound Name1-pyridin-4-ylpiperidine-4-carboximidoyl chloride
PubChem CID22096509
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name1-pyridin-4-ylpiperidine-4-carboximidoyl chloride
SMILES[H]/N=C(\Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C11H14ClN3/c12-11(13)9-3-7-15(8-4-9)10-1-5-14-6-2-10/h1-2,5-6,9,13H,3-4,7-8H2/b13-11-
InChIKeyUHBIYCBBEXYDAX-QBFSEMIESA-N
XLogP2.51
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride?
The IUPAC name of 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride (CID 22096509) is 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride.
What is the SMILES notation for 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride?
The canonical SMILES for 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride is [H]/N=C(\Cl)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride?
The InChIKey is UHBIYCBBEXYDAX-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14ClN3/c12-11(13)9-3-7-15(8-4-9)10-1-5-14-6-2-10/h1-2,5-6,9,13H,3-4,7-8H2/b13-11-.
What are the key properties of 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride?
1-pyridin-4-ylpiperidine-4-carboximidoyl chloride has a molecular weight of 223.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpiperidine-4-carboximidoyl chloride is sourced from PubChem (CID 22096509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).