4-[2-(2-methylprop-2-enoxy)ethyl]piperidine

C11H21NO — CID 56829997

IUPAC4-[2-(2-methylprop-2-enoxy)ethyl]piperidine
SMILESC=C(C)COCCC1CCNCC1
InChIInChI=1S/C11H21NO/c1-10(2)9-13-8-5-11-3-6-12-7-4-11/h11-12H,1,3-9H2,2H3
InChIKeyHVWIZBULOUEWJT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine

4-[2-(2-methylprop-2-enoxy)ethyl]piperidine (PubChem CID 56829997) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoxy)ethyl]piperidine
PubChem CID56829997
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[2-(2-methylprop-2-enoxy)ethyl]piperidine
SMILESC=C(C)COCCC1CCNCC1
InChIInChI=1S/C11H21NO/c1-10(2)9-13-8-5-11-3-6-12-7-4-11/h11-12H,1,3-9H2,2H3
InChIKeyHVWIZBULOUEWJT-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320862
N,N-diethyl-2-(2-piperidin-4-ylethoxy)ethanamine
CID 15057325
ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine
CID 167480548
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
2-piperidin-4-ylethyl propanoate
CID 53408774
ethane;4-propylpiperidine
CID 142071399
4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
CID 26192445
4-(2-methylidenebutoxymethyl)piperidine
CID 66045029
N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
CID 114467819
3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
CID 62356668
2-piperidin-4-ylethyl butanoate
CID 174737441
3-(2-propoxyethyl)pyrrolidine
CID 114796170

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine (CID 56829997) is 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine is C=C(C)COCCC1CCNCC1.
What is the InChIKey of 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
The InChIKey is HVWIZBULOUEWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)9-13-8-5-11-3-6-12-7-4-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
4-[2-(2-methylprop-2-enoxy)ethyl]piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine is sourced from PubChem (CID 56829997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).