[4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine

C12H24N2O — CID 112622556

IUPAC[4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine
SMILESC=C(CC)CN1CCC(OC)CC1CN
InChIInChI=1S/C12H24N2O/c1-4-10(2)9-14-6-5-12(15-3)7-11(14)8-13/h11-12H,2,4-9,13H2,1,3H3
InChIKeyYRJNDYNDDKTYCY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds5

About [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine

[4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine (PubChem CID 112622556) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine
PubChem CID112622556
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine
SMILESC=C(CC)CN1CCC(OC)CC1CN
InChIInChI=1S/C12H24N2O/c1-4-10(2)9-14-6-5-12(15-3)7-11(14)8-13/h11-12H,2,4-9,13H2,1,3H3
InChIKeyYRJNDYNDDKTYCY-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-methoxy-N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]ethanamine
CID 66039980
3-[1-(2-Methylidenebutyl)piperidin-4-yl]oxypropan-1-amine
CID 79735706
[1-(3-Chloro-2-methylprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
CID 106439525
[1-(2-Chloroprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622478
[4-Methoxy-1-(3-methylbut-2-enyl)piperidin-2-yl]methanamine
CID 112622587
(4-Methoxy-1-prop-2-enylpiperidin-2-yl)methanamine
CID 112622615
[4-Methoxy-1-(2-methylprop-2-enyl)piperidin-2-yl]methanamine
CID 112622655
(4-Methoxy-1-pent-4-enylpiperidin-2-yl)methanamine
CID 112622664
[1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622678
(1-But-3-en-2-yl-4-methoxypiperidin-2-yl)methanamine
CID 112622680
[1-(2-Bromoprop-2-enyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622709
(1-But-3-enyl-4-methoxypiperidin-2-yl)methanamine
CID 112622728

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine (CID 112622556) is [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine is C=C(CC)CN1CCC(OC)CC1CN.
What is the InChIKey of [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine?
The InChIKey is YRJNDYNDDKTYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10(2)9-14-6-5-12(15-3)7-11(14)8-13/h11-12H,2,4-9,13H2,1,3H3.
What are the key properties of [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2-methylidenebutyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).