4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine

C13H24N2O — CID 144547629

IUPAC4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine
SMILESC=CCN.C=COCC1(C=C)CCNCC1
InChIInChI=1S/C10H17NO.C3H7N/c1-3-10(9-12-4-2)5-7-11-8-6-10;1-2-3-4/h3-4,11H,1-2,5-9H2;2H,1,3-4H2
InChIKeyKVICQDYWDBDPNZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds5

About 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine

4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine (PubChem CID 144547629) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine.

Molecular Properties

Compound Name4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine
PubChem CID144547629
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine
SMILESC=CCN.C=COCC1(C=C)CCNCC1
InChIInChI=1S/C10H17NO.C3H7N/c1-3-10(9-12-4-2)5-7-11-8-6-10;1-2-3-4/h3-4,11H,1-2,5-9H2;2H,1,3-4H2
InChIKeyKVICQDYWDBDPNZ-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxa-8-azaspiro[4.5]dec-3-ene
CID 141701201
ethane;1-ethenoxy-1-(4-ethylpiperidin-4-yl)-N-methylmethanamine;prop-1-ene
CID 144056593
4-(Ethenoxymethyl)-4-methylpiperidine;2-methylidenebut-3-en-1-amine
CID 144547117
4-((Pent-4-enyloxy)methyl)piperidine
CID 53409962
(4-Prop-2-enylpiperidin-4-yl)methanol
CID 59312012
4-(Methoxymethyl)-4-prop-2-enylpiperidine
CID 59312077
4-(But-3-enoxymethyl)piperidine
CID 64314711
N-[(4-methyloxan-4-yl)methyl]hept-6-en-1-amine
CID 105893163
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-methylpent-4-en-1-amine
CID 108122754

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine?
The IUPAC name of 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine (CID 144547629) is 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine.
What is the SMILES notation for 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine?
The canonical SMILES for 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine is C=CCN.C=COCC1(C=C)CCNCC1.
What is the InChIKey of 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine?
The InChIKey is KVICQDYWDBDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C3H7N/c1-3-10(9-12-4-2)5-7-11-8-6-10;1-2-3-4/h3-4,11H,1-2,5-9H2;2H,1,3-4H2.
What are the key properties of 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine?
4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)-4-ethenylpiperidine;prop-2-en-1-amine is sourced from PubChem (CID 144547629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).