1-[5-(2,3-dimethylphenoxy)pentyl]piperidine

C18H29NO — CID 2057431

IUPAC1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
SMILESCc1cccc(OCCCCCN2CCCCC2)c1C
InChIInChI=1S/C18H29NO/c1-16-10-9-11-18(17(16)2)20-15-8-4-7-14-19-12-5-3-6-13-19/h9-11H,3-8,12-15H2,1-2H3
InChIKeyYAEVKCFBBUMXBD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.34
Rot. Bonds7

About 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine

1-[5-(2,3-dimethylphenoxy)pentyl]piperidine (PubChem CID 2057431) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
PubChem CID2057431
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
SMILESCc1cccc(OCCCCCN2CCCCC2)c1C
InChIInChI=1S/C18H29NO/c1-16-10-9-11-18(17(16)2)20-15-8-4-7-14-19-12-5-3-6-13-19/h9-11H,3-8,12-15H2,1-2H3
InChIKeyYAEVKCFBBUMXBD-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-bromo-2-methylphenoxy)butyl]piperidine
CID 176718659
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
1-[3-(3-bromo-2-methylphenoxy)propyl]piperidine
CID 163215227
1-[4-(2,3,6-trimethylphenoxy)butyl]piperidine
CID 2262772
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
1-[3-[2-methyl-3-[2-methyl-3-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]pyrrolidin-3-ol
CID 134282493
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine?
The IUPAC name of 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine (CID 2057431) is 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine.
What is the SMILES notation for 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine?
The canonical SMILES for 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine is Cc1cccc(OCCCCCN2CCCCC2)c1C.
What is the InChIKey of 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine?
The InChIKey is YAEVKCFBBUMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-16-10-9-11-18(17(16)2)20-15-8-4-7-14-19-12-5-3-6-13-19/h9-11H,3-8,12-15H2,1-2H3.
What are the key properties of 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine?
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dimethylphenoxy)pentyl]piperidine is sourced from PubChem (CID 2057431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).