4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine

C11H24N2O — CID 106633816

IUPAC4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
SMILESCOCCCCNCC1CCCCN1
InChIInChI=1S/C11H24N2O/c1-14-9-5-4-7-12-10-11-6-2-3-8-13-11/h11-13H,2-10H2,1H3
InChIKeyJUILCYQXJVJMMK-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds7

About 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine

4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine (PubChem CID 106633816) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
PubChem CID106633816
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
SMILESCOCCCCNCC1CCCCN1
InChIInChI=1S/C11H24N2O/c1-14-9-5-4-7-12-10-11-6-2-3-8-13-11/h11-13H,2-10H2,1H3
InChIKeyJUILCYQXJVJMMK-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine
CID 54855722
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine (CID 106633816) is 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine is COCCCCNCC1CCCCN1.
What is the InChIKey of 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine?
The InChIKey is JUILCYQXJVJMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-14-9-5-4-7-12-10-11-6-2-3-8-13-11/h11-13H,2-10H2,1H3.
What are the key properties of 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine?
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106633816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).