2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine

C10H17Cl2NO — CID 79172769

IUPAC2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine
SMILESClC=C(Cl)COCCC1CCCCN1
InChIInChI=1S/C10H17Cl2NO/c11-7-9(12)8-14-6-4-10-3-1-2-5-13-10/h7,10,13H,1-6,8H2
InChIKeyADBXNLCNQUTOEL-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine

2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine (PubChem CID 79172769) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine
PubChem CID79172769
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine
SMILESClC=C(Cl)COCCC1CCCCN1
InChIInChI=1S/C10H17Cl2NO/c11-7-9(12)8-14-6-4-10-3-1-2-5-13-10/h7,10,13H,1-6,8H2
InChIKeyADBXNLCNQUTOEL-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Allyloxy)ethyl]piperidine hydrochloride
CID 53408893
2-(2-Prop-2-enoxyethyl)piperidine
CID 53408894
2-{2-[(2-Methyl-2-propenyl)oxy]ethyl}piperidine hydrochloride
CID 56830000
2-(2-Chloroprop-2-enoxymethyl)piperidine
CID 62341271
2-[2-(2-Chloroprop-2-enoxy)ethyl]piperidine
CID 62341810
2-[2-(3-Chloroprop-2-enoxy)ethyl]piperidine
CID 76940442
2-(2,3-Dichloroprop-2-enoxymethyl)piperidine
CID 79174178
(2S)-2-(2-prop-2-enoxyethyl)piperidine
CID 93907702
(2R)-2-(2-prop-2-enoxyethyl)piperidine
CID 93907704
2-[2-(3-Chloro-2-methylprop-2-enoxy)ethyl]piperidine
CID 106439110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine (CID 79172769) is 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine is ClC=C(Cl)COCCC1CCCCN1.
What is the InChIKey of 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine?
The InChIKey is ADBXNLCNQUTOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c11-7-9(12)8-14-6-4-10-3-1-2-5-13-10/h7,10,13H,1-6,8H2.
What are the key properties of 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine?
2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine has a molecular weight of 238.16 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichloroprop-2-enoxy)ethyl]piperidine is sourced from PubChem (CID 79172769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).