4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine

C11H24N2O — CID 65469045

IUPAC4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
SMILESCN1CCCCC1COCCCCN
InChIInChI=1S/C11H24N2O/c1-13-8-4-2-6-11(13)10-14-9-5-3-7-12/h11H,2-10,12H2,1H3
InChIKeyLXFQFTGSVIJJLX-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.23
Rot. Bonds6

About 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine

4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine (PubChem CID 65469045) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine.

Molecular Properties

Compound Name4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
PubChem CID65469045
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
SMILESCN1CCCCC1COCCCCN
InChIInChI=1S/C11H24N2O/c1-13-8-4-2-6-11(13)10-14-9-5-3-7-12/h11H,2-10,12H2,1H3
InChIKeyLXFQFTGSVIJJLX-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

2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65469427
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
CID 65467309
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propan-1-amine
CID 129323114
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 121001602
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine?
The IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine (CID 65469045) is 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine.
What is the SMILES notation for 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine?
The canonical SMILES for 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine is CN1CCCCC1COCCCCN.
What is the InChIKey of 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine?
The InChIKey is LXFQFTGSVIJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13-8-4-2-6-11(13)10-14-9-5-3-7-12/h11H,2-10,12H2,1H3.
What are the key properties of 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine?
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine 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 4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine is sourced from PubChem (CID 65469045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).