1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine

C13H28N2O — CID 104646713

IUPAC1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1CCCCOC
InChIInChI=1S/C13H28N2O/c1-12(14-2)13-8-4-5-9-15(13)10-6-7-11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyYGBWJDNRDCDLAK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

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

1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine (PubChem CID 104646713) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine
PubChem CID104646713
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1CCCCOC
InChIInChI=1S/C13H28N2O/c1-12(14-2)13-8-4-5-9-15(13)10-6-7-11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyYGBWJDNRDCDLAK-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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

N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
CID 63854669
6-[2-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701936
1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63931055
N-ethyl-1-[1-(2-methoxyethyl)piperidin-2-yl]ethanamine
CID 63854863
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
N,N-dimethyl-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256664
1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 106988201
1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
CID 63853813
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
N-methyl-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63854674
N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
CID 63853121
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanamine
CID 63854336

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine (CID 104646713) is 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine is CNC(C)C1CCCCN1CCCCOC.
What is the InChIKey of 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is YGBWJDNRDCDLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(14-2)13-8-4-5-9-15(13)10-6-7-11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine?
1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 104646713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).