2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine

C11H20ClNO — CID 106439110

IUPAC2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine
SMILESCC(=CCl)COCCC1CCCCN1
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h8,11,13H,2-7,9H2,1H3
InChIKeyOAALLXMSFIJKKJ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.68
Rot. Bonds5

About 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine

2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine (PubChem CID 106439110) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine
PubChem CID106439110
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine
SMILESCC(=CCl)COCCC1CCCCN1
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h8,11,13H,2-7,9H2,1H3
InChIKeyOAALLXMSFIJKKJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.68
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-[(2-Methyl-2-propenyl)oxy]ethyl}piperidine hydrochloride
CID 56830000
2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
2-[2-(3-Methylbut-2-enoxy)ethyl]piperidine
CID 62341606
2-[2-(2-Chloroprop-2-enoxy)ethyl]piperidine
CID 62341810
2-[2-(2-Methylidenebutoxy)ethyl]piperidine
CID 66045503
2-[2-(3-Chloroprop-2-enoxy)ethyl]piperidine
CID 76940442
2-[2-(2,3-Dichloroprop-2-enoxy)ethyl]piperidine
CID 79172769
(2S)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320866
(2R)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320868
3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
CID 106438299
2-[(3-Chloro-2-methylprop-2-enoxy)methyl]piperidine
CID 106439104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine (CID 106439110) is 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine is CC(=CCl)COCCC1CCCCN1.
What is the InChIKey of 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine?
The InChIKey is OAALLXMSFIJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h8,11,13H,2-7,9H2,1H3.
What are the key properties of 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine?
2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine has a molecular weight of 217.74 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-methylprop-2-enoxy)ethyl]piperidine is sourced from PubChem (CID 106439110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).