4-(2,3-dichloroprop-2-enoxy)piperidine

C8H13Cl2NO — CID 79173880

IUPAC4-(2,3-dichloroprop-2-enoxy)piperidine
SMILESClC=C(Cl)COC1CCNCC1
InChIInChI=1S/C8H13Cl2NO/c9-5-7(10)6-12-8-1-3-11-4-2-8/h5,8,11H,1-4,6H2
InChIKeyVIDLEURVYISUPX-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.07
Rot. Bonds3

About 4-(2,3-dichloroprop-2-enoxy)piperidine

4-(2,3-dichloroprop-2-enoxy)piperidine (PubChem CID 79173880) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 4-(2,3-dichloroprop-2-enoxy)piperidine.

Molecular Properties

Compound Name4-(2,3-dichloroprop-2-enoxy)piperidine
PubChem CID79173880
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name4-(2,3-dichloroprop-2-enoxy)piperidine
SMILESClC=C(Cl)COC1CCNCC1
InChIInChI=1S/C8H13Cl2NO/c9-5-7(10)6-12-8-1-3-11-4-2-8/h5,8,11H,1-4,6H2
InChIKeyVIDLEURVYISUPX-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Chloroprop-2-enoxy)piperidine
CID 43167841
4-[(E)-3-chloroprop-2-enoxy]piperidine
CID 43346317
(3S)-3-(2,3-dichloroprop-2-enoxy)piperidine
CID 79173779
3-(2,3-Dichloroprop-2-enoxy)piperidine
CID 79173982
4-(3-Chloro-2-methylprop-2-enoxy)piperidine
CID 106439099
(3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine
CID 131501130
4-[(E)-3-chloro-2-methylprop-2-enoxy]piperidine
CID 133628030
4-[(Z)-2,3-dichloroprop-2-enoxy]-3,3-dimethylpiperidine
CID 133633999
4-[(E)-2,3-dichloroprop-2-enoxy]piperidine
CID 133665010

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroprop-2-enoxy)piperidine?
The IUPAC name of 4-(2,3-dichloroprop-2-enoxy)piperidine (CID 79173880) is 4-(2,3-dichloroprop-2-enoxy)piperidine.
What is the SMILES notation for 4-(2,3-dichloroprop-2-enoxy)piperidine?
The canonical SMILES for 4-(2,3-dichloroprop-2-enoxy)piperidine is ClC=C(Cl)COC1CCNCC1.
What is the InChIKey of 4-(2,3-dichloroprop-2-enoxy)piperidine?
The InChIKey is VIDLEURVYISUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c9-5-7(10)6-12-8-1-3-11-4-2-8/h5,8,11H,1-4,6H2.
What are the key properties of 4-(2,3-dichloroprop-2-enoxy)piperidine?
4-(2,3-dichloroprop-2-enoxy)piperidine has a molecular weight of 210.10 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroprop-2-enoxy)piperidine is sourced from PubChem (CID 79173880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).