[1-(4-methoxybutyl)piperidin-2-yl]methanamine

C11H24N2O — CID 115741337

IUPAC[1-(4-methoxybutyl)piperidin-2-yl]methanamine
SMILESCOCCCCN1CCCCC1CN
InChIInChI=1S/C11H24N2O/c1-14-9-5-4-8-13-7-3-2-6-11(13)10-12/h11H,2-10,12H2,1H3
InChIKeyWZLNRDKHBZQDJA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.23
Rot. Bonds6

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

[1-(4-methoxybutyl)piperidin-2-yl]methanamine (PubChem CID 115741337) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-(4-methoxybutyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxybutyl)piperidin-2-yl]methanamine
PubChem CID115741337
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-(4-methoxybutyl)piperidin-2-yl]methanamine
SMILESCOCCCCN1CCCCC1CN
InChIInChI=1S/C11H24N2O/c1-14-9-5-4-8-13-7-3-2-6-11(13)10-12/h11H,2-10,12H2,1H3
InChIKeyWZLNRDKHBZQDJA-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764
(1-dodecylazepan-2-yl)methanamine
CID 116640397
(1-butylazepan-2-yl)methanamine
CID 116640391
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 103353150
3-[2-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 121201536
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
CID 112589800

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(4-methoxybutyl)piperidin-2-yl]methanamine (CID 115741337) is [1-(4-methoxybutyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-methoxybutyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-methoxybutyl)piperidin-2-yl]methanamine is COCCCCN1CCCCC1CN.
What is the InChIKey of [1-(4-methoxybutyl)piperidin-2-yl]methanamine?
The InChIKey is WZLNRDKHBZQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-14-9-5-4-8-13-7-3-2-6-11(13)10-12/h11H,2-10,12H2,1H3.
What are the key properties of [1-(4-methoxybutyl)piperidin-2-yl]methanamine?
[1-(4-methoxybutyl)piperidin-2-yl]methanamine has a molecular weight of 200.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybutyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 115741337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).