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

C17H28NO+ — CID 2057428

IUPAC1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
SMILESCc1ccccc1OCCCCC[NH+]1CCCCC1
InChIInChI=1S/C17H27NO/c1-16-10-4-5-11-17(16)19-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3/p+1
InChIKeyMVYVAEAPTPFINE-UHFFFAOYSA-O
MW262.42 g/mol
LogP2.61
Rot. Bonds7

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

1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium (PubChem CID 2057428) has the molecular formula C17H28NO+ and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
PubChem CID2057428
Molecular FormulaC17H28NO+
Molecular Weight262.42 g/mol
Exact Mass262.22
IUPAC Name1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
SMILESCc1ccccc1OCCCCC[NH+]1CCCCC1
InChIInChI=1S/C17H27NO/c1-16-10-4-5-11-17(16)19-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3/p+1
InChIKeyMVYVAEAPTPFINE-UHFFFAOYSA-O
XLogP2.61
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
1-(4-naphthalen-1-yloxybutyl)piperidin-1-ium
CID 2057909
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-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium
CID 2262417
1-methyl-2-pentadecoxybenzene
CID 154641785
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidin-1-ium
CID 2296986
1-[4-(2,3-dichlorophenoxy)butyl]pyrrolidin-1-ium
CID 2262554
1-[4-(2,3,5-trimethylphenoxy)butyl]pyrrolidin-1-ium
CID 2057664
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium
CID 2237951
11-(2-methylphenoxy)undecan-1-ol
CID 123672662

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium?
The IUPAC name of 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium (CID 2057428) is 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium.
What is the SMILES notation for 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium?
The canonical SMILES for 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium is Cc1ccccc1OCCCCC[NH+]1CCCCC1.
What is the InChIKey of 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium?
The InChIKey is MVYVAEAPTPFINE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27NO/c1-16-10-4-5-11-17(16)19-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3/p+1.
What are the key properties of 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium?
1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium has a molecular weight of 262.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium is sourced from PubChem (CID 2057428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).