3-piperidin-1-ylhex-2-enimidoyl chloride

C11H19ClN2 — CID 123527230

IUPAC3-piperidin-1-ylhex-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=C(CCC)N1CCCCC1
InChIInChI=1S/C11H19ClN2/c1-2-6-10(9-11(12)13)14-7-4-3-5-8-14/h9,13H,2-8H2,1H3/b10-9?,13-11-
InChIKeyUATLHZFCHADYTQ-RYCTUUAPSA-N
MW214.74 g/mol
LogP3.37
Rot. Bonds4

About 3-piperidin-1-ylhex-2-enimidoyl chloride

3-piperidin-1-ylhex-2-enimidoyl chloride (PubChem CID 123527230) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 3-piperidin-1-ylhex-2-enimidoyl chloride.

Molecular Properties

Compound Name3-piperidin-1-ylhex-2-enimidoyl chloride
PubChem CID123527230
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name3-piperidin-1-ylhex-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=C(CCC)N1CCCCC1
InChIInChI=1S/C11H19ClN2/c1-2-6-10(9-11(12)13)14-7-4-3-5-8-14/h9,13H,2-8H2,1H3/b10-9?,13-11-
InChIKeyUATLHZFCHADYTQ-RYCTUUAPSA-N
XLogP3.37
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
CID 140972577
(E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride
CID 167214343
1-[(2E,7E)-2-chloro-5,6-dihydro-4H-azonin-7-yl]-N-methylpiperidin-4-amine
CID 173790035
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
CID 140972578
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine
CID 140972590
(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine
CID 171811235

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylhex-2-enimidoyl chloride?
The IUPAC name of 3-piperidin-1-ylhex-2-enimidoyl chloride (CID 123527230) is 3-piperidin-1-ylhex-2-enimidoyl chloride.
What is the SMILES notation for 3-piperidin-1-ylhex-2-enimidoyl chloride?
The canonical SMILES for 3-piperidin-1-ylhex-2-enimidoyl chloride is [H]/N=C(\Cl)C=C(CCC)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylhex-2-enimidoyl chloride?
The InChIKey is UATLHZFCHADYTQ-RYCTUUAPSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-2-6-10(9-11(12)13)14-7-4-3-5-8-14/h9,13H,2-8H2,1H3/b10-9?,13-11-.
What are the key properties of 3-piperidin-1-ylhex-2-enimidoyl chloride?
3-piperidin-1-ylhex-2-enimidoyl chloride has a molecular weight of 214.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylhex-2-enimidoyl chloride is sourced from PubChem (CID 123527230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).