3-(3-methylbut-3-enoxymethyl)piperidine

C11H21NO — CID 114473046

IUPAC3-(3-methylbut-3-enoxymethyl)piperidine
SMILESC=C(C)CCOCC1CCCNC1
InChIInChI=1S/C11H21NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h11-12H,1,3-9H2,2H3
InChIKeyWUDZRQIVOXEZCD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About 3-(3-methylbut-3-enoxymethyl)piperidine

3-(3-methylbut-3-enoxymethyl)piperidine (PubChem CID 114473046) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(3-methylbut-3-enoxymethyl)piperidine.

Molecular Properties

Compound Name3-(3-methylbut-3-enoxymethyl)piperidine
PubChem CID114473046
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(3-methylbut-3-enoxymethyl)piperidine
SMILESC=C(C)CCOCC1CCCNC1
InChIInChI=1S/C11H21NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h11-12H,1,3-9H2,2H3
InChIKeyWUDZRQIVOXEZCD-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

(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine
CID 177009560
3-(Ethoxymethyl)piperidine
CID 17178072
(3S)-3-(butoxymethyl)piperidine
CID 26190559
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(Propoxymethyl)piperidine
CID 54135236
N-(oxan-3-ylmethyl)but-3-en-1-amine
CID 64314422
3-(Ethoxymethyl)piperidin-1-ium
CID 74802368
3-(1-Ethoxyethenyl)piperidine
CID 89033604
2-Methoxy-3-methyl-5-methylidenepiperidine
CID 91145347
N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470739
(3S)-3-(butoxymethyl)piperidine;ethane
CID 142300188

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-3-enoxymethyl)piperidine?
The IUPAC name of 3-(3-methylbut-3-enoxymethyl)piperidine (CID 114473046) is 3-(3-methylbut-3-enoxymethyl)piperidine.
What is the SMILES notation for 3-(3-methylbut-3-enoxymethyl)piperidine?
The canonical SMILES for 3-(3-methylbut-3-enoxymethyl)piperidine is C=C(C)CCOCC1CCCNC1.
What is the InChIKey of 3-(3-methylbut-3-enoxymethyl)piperidine?
The InChIKey is WUDZRQIVOXEZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 3-(3-methylbut-3-enoxymethyl)piperidine?
3-(3-methylbut-3-enoxymethyl)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 3-(3-methylbut-3-enoxymethyl)piperidine is sourced from PubChem (CID 114473046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).