2-(2,3-dichloroprop-2-enoxymethyl)piperidine

C9H15Cl2NO — CID 79174178

IUPAC2-(2,3-dichloroprop-2-enoxymethyl)piperidine
SMILESClC=C(Cl)COCC1CCCCN1
InChIInChI=1S/C9H15Cl2NO/c10-5-8(11)6-13-7-9-3-1-2-4-12-9/h5,9,12H,1-4,6-7H2
InChIKeyLLLCHRWMKCIACX-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.46
Rot. Bonds4

About 2-(2,3-dichloroprop-2-enoxymethyl)piperidine

2-(2,3-dichloroprop-2-enoxymethyl)piperidine (PubChem CID 79174178) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enoxymethyl)piperidine
PubChem CID79174178
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2-(2,3-dichloroprop-2-enoxymethyl)piperidine
SMILESClC=C(Cl)COCC1CCCCN1
InChIInChI=1S/C9H15Cl2NO/c10-5-8(11)6-13-7-9-3-1-2-4-12-9/h5,9,12H,1-4,6-7H2
InChIKeyLLLCHRWMKCIACX-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enoxymethyl)piperidine?
The IUPAC name of 2-(2,3-dichloroprop-2-enoxymethyl)piperidine (CID 79174178) is 2-(2,3-dichloroprop-2-enoxymethyl)piperidine.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enoxymethyl)piperidine?
The canonical SMILES for 2-(2,3-dichloroprop-2-enoxymethyl)piperidine is ClC=C(Cl)COCC1CCCCN1.
What is the InChIKey of 2-(2,3-dichloroprop-2-enoxymethyl)piperidine?
The InChIKey is LLLCHRWMKCIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-5-8(11)6-13-7-9-3-1-2-4-12-9/h5,9,12H,1-4,6-7H2.
What are the key properties of 2-(2,3-dichloroprop-2-enoxymethyl)piperidine?
2-(2,3-dichloroprop-2-enoxymethyl)piperidine has a molecular weight of 224.13 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 79174178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).