4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine

C14H26N2O — CID 144547117

IUPAC4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN.C=COCC1(C)CCNCC1
InChIInChI=1S/C9H17NO.C5H9N/c1-3-11-8-9(2)4-6-10-7-5-9;1-3-5(2)4-6/h3,10H,1,4-8H2,2H3;3H,1-2,4,6H2
InChIKeySEZBJHQUSMRTEF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.22
Rot. Bonds5

About 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine

4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine (PubChem CID 144547117) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine.

Molecular Properties

Compound Name4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine
PubChem CID144547117
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN.C=COCC1(C)CCNCC1
InChIInChI=1S/C9H17NO.C5H9N/c1-3-11-8-9(2)4-6-10-7-5-9;1-3-5(2)4-6/h3,10H,1,4-8H2,2H3;3H,1-2,4,6H2
InChIKeySEZBJHQUSMRTEF-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-ethenoxy-1-(4-ethylpiperidin-4-yl)-N-methylmethanamine;prop-1-ene
CID 144056593
4-(Ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine
CID 144547629
4-(Methoxymethyl)-4-prop-2-enylpiperidine
CID 59312077
1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 106314960
N-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylprop-2-en-1-amine
CID 108122416
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-methylprop-2-en-1-amine
CID 108122726
N-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]prop-2-en-1-amine
CID 108122727
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylpropan-1-amine
CID 108122728
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-prop-2-enylpropan-2-amine
CID 108122729
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine
CID 108122730
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 108122752
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-N-methylpent-4-en-1-amine
CID 108122754

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine?
The IUPAC name of 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine (CID 144547117) is 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine.
What is the SMILES notation for 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine?
The canonical SMILES for 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine is C=CC(=C)CN.C=COCC1(C)CCNCC1.
What is the InChIKey of 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine?
The InChIKey is SEZBJHQUSMRTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C5H9N/c1-3-11-8-9(2)4-6-10-7-5-9;1-3-5(2)4-6/h3,10H,1,4-8H2,2H3;3H,1-2,4,6H2.
What are the key properties of 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine?
4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine is sourced from PubChem (CID 144547117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).