3-but-3-enoxy-4-methylpiperidine

C10H19NO — CID 102954396

IUPAC3-but-3-enoxy-4-methylpiperidine
SMILESC=CCCOC1CNCCC1C
InChIInChI=1S/C10H19NO/c1-3-4-7-12-10-8-11-6-5-9(10)2/h3,9-11H,1,4-8H2,2H3
InChIKeyOLFKAJMBAQSRLX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 3-but-3-enoxy-4-methylpiperidine

3-but-3-enoxy-4-methylpiperidine (PubChem CID 102954396) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-but-3-enoxy-4-methylpiperidine.

Molecular Properties

Compound Name3-but-3-enoxy-4-methylpiperidine
PubChem CID102954396
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-but-3-enoxy-4-methylpiperidine
SMILESC=CCCOC1CNCCC1C
InChIInChI=1S/C10H19NO/c1-3-4-7-12-10-8-11-6-5-9(10)2/h3,9-11H,1,4-8H2,2H3
InChIKeyOLFKAJMBAQSRLX-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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

(2S,6S)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213107
(2S,6R)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213127
2,2-Bis(prop-2-enyl)morpholine
CID 21271343
2-Pent-4-en-2-ylmorpholine
CID 66612517
(2S,6S)-2-methyl-6-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213104
(2S,6R)-2-cyclohexa-2,4-dien-1-yl-6-methylmorpholine
CID 68213112
(2R,6S)-2-methyl-6-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213114
(2S,6S)-2-cyclohexa-2,4-dien-1-yl-6-methylmorpholine
CID 68213126
(2S,5R)-2-cyclohexa-2,4-dien-1-yl-5-methylmorpholine
CID 68213212
(2S,5S)-2-cyclohexa-2,4-dien-1-yl-5-methylmorpholine
CID 68213224
2-Hept-1-en-3-ylmorpholine
CID 68588233
2-Pent-1-en-3-ylmorpholine
CID 68589735

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-4-methylpiperidine?
The IUPAC name of 3-but-3-enoxy-4-methylpiperidine (CID 102954396) is 3-but-3-enoxy-4-methylpiperidine.
What is the SMILES notation for 3-but-3-enoxy-4-methylpiperidine?
The canonical SMILES for 3-but-3-enoxy-4-methylpiperidine is C=CCCOC1CNCCC1C.
What is the InChIKey of 3-but-3-enoxy-4-methylpiperidine?
The InChIKey is OLFKAJMBAQSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-7-12-10-8-11-6-5-9(10)2/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 3-but-3-enoxy-4-methylpiperidine?
3-but-3-enoxy-4-methylpiperidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-4-methylpiperidine is sourced from PubChem (CID 102954396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).