[4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine

C12H24N2O — CID 112622587

IUPAC[4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(CC=C(C)C)C(CN)C1
InChIInChI=1S/C12H24N2O/c1-10(2)4-6-14-7-5-12(15-3)8-11(14)9-13/h4,11-12H,5-9,13H2,1-3H3
InChIKeyMUILKFDVXBSVSA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds4

About [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine

[4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine (PubChem CID 112622587) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine
PubChem CID112622587
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(CC=C(C)C)C(CN)C1
InChIInChI=1S/C12H24N2O/c1-10(2)4-6-14-7-5-12(15-3)8-11(14)9-13/h4,11-12H,5-9,13H2,1-3H3
InChIKeyMUILKFDVXBSVSA-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61815165
2-(4-methoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62567902
2-(4-ethoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62567954
2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine
CID 63853216
N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 64600680
3-[1-(3-Methylbut-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79735063
1-(3-methylbut-2-enyl)-N-(4-propan-2-yloxybutyl)piperidin-4-amine
CID 104178628
N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 104584639
[1-(3-Chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
CID 106439525
1-[2-(Aminomethyl)-4-methoxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 112622168
[1-(2-Chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622478
[4-Methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 112622556

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine (CID 112622587) is [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine is COC1CCN(CC=C(C)C)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine?
The InChIKey is MUILKFDVXBSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)4-6-14-7-5-12(15-3)8-11(14)9-13/h4,11-12H,5-9,13H2,1-3H3.
What are the key properties of [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).