1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium

C17H28NO2+ — CID 2304779

IUPAC1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
SMILESCOc1ccccc1OCCCCC[NH+]1CCCCC1
InChIInChI=1S/C17H27NO2/c1-19-16-10-4-5-11-17(16)20-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3/p+1
InChIKeyAAWCQMWNQDMIII-UHFFFAOYSA-O
MW278.42 g/mol
LogP2.31
Rot. Bonds8

About 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium

1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium (PubChem CID 2304779) has the molecular formula C17H28NO2+ and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
PubChem CID2304779
Molecular FormulaC17H28NO2+
Molecular Weight278.42 g/mol
Exact Mass278.21
IUPAC Name1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
SMILESCOc1ccccc1OCCCCC[NH+]1CCCCC1
InChIInChI=1S/C17H27NO2/c1-19-16-10-4-5-11-17(16)20-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3/p+1
InChIKeyAAWCQMWNQDMIII-UHFFFAOYSA-O
XLogP2.31
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium
CID 2262417
1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
CID 2057428
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium
CID 2057909
1-[3-(2-methoxy-4-methylphenoxy)propyl]azepan-1-ium
CID 2194847
1-[4-[2-[(2R)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194726
1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194728
1-[5-(3-methoxyphenoxy)pentyl]pyrrolidin-1-ium
CID 2232738
1-[4-(2,3-dichlorophenoxy)butyl]pyrrolidin-1-ium
CID 2262554
1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium
CID 2237951
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
3-methoxy-2-(3-piperidin-1-ium-1-ylpropoxy)benzaldehyde
CID 2200637

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium?
The IUPAC name of 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium (CID 2304779) is 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium.
What is the SMILES notation for 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium?
The canonical SMILES for 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium is COc1ccccc1OCCCCC[NH+]1CCCCC1.
What is the InChIKey of 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium?
The InChIKey is AAWCQMWNQDMIII-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27NO2/c1-19-16-10-4-5-11-17(16)20-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3/p+1.
What are the key properties of 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium?
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium has a molecular weight of 278.42 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium is sourced from PubChem (CID 2304779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).