[1-(4-methoxybutyl)piperidin-3-yl]methanamine

C11H24N2O — CID 112702061

IUPAC[1-(4-methoxybutyl)piperidin-3-yl]methanamine
SMILESCOCCCCN1CCCC(CN)C1
InChIInChI=1S/C11H24N2O/c1-14-8-3-2-6-13-7-4-5-11(9-12)10-13/h11H,2-10,12H2,1H3
InChIKeyHNQNGJQBXOVTHK-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds6

About [1-(4-methoxybutyl)piperidin-3-yl]methanamine

[1-(4-methoxybutyl)piperidin-3-yl]methanamine (PubChem CID 112702061) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-(4-methoxybutyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxybutyl)piperidin-3-yl]methanamine
PubChem CID112702061
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-(4-methoxybutyl)piperidin-3-yl]methanamine
SMILESCOCCCCN1CCCC(CN)C1
InChIInChI=1S/C11H24N2O/c1-14-8-3-2-6-13-7-4-5-11(9-12)10-13/h11H,2-10,12H2,1H3
InChIKeyHNQNGJQBXOVTHK-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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

[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171
[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine
CID 142385858
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(4-methoxybutyl)piperidin-3-yl]methanamine (CID 112702061) is [1-(4-methoxybutyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-methoxybutyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(4-methoxybutyl)piperidin-3-yl]methanamine is COCCCCN1CCCC(CN)C1.
What is the InChIKey of [1-(4-methoxybutyl)piperidin-3-yl]methanamine?
The InChIKey is HNQNGJQBXOVTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-14-8-3-2-6-13-7-4-5-11(9-12)10-13/h11H,2-10,12H2,1H3.
What are the key properties of [1-(4-methoxybutyl)piperidin-3-yl]methanamine?
[1-(4-methoxybutyl)piperidin-3-yl]methanamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 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-3-yl]methanamine is sourced from PubChem (CID 112702061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).