1-(4-pentylphenoxy)piperidine

C16H25NO — CID 91549351

IUPAC1-(4-pentylphenoxy)piperidine
SMILESCCCCCc1ccc(ON2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-2-3-5-8-15-9-11-16(12-10-15)18-17-13-6-4-7-14-17/h9-12H,2-8,13-14H2,1H3
InChIKeyHILOSFXWHRDDCH-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.20
Rot. Bonds6

About 1-(4-pentylphenoxy)piperidine

1-(4-pentylphenoxy)piperidine (PubChem CID 91549351) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-pentylphenoxy)piperidine.

Molecular Properties

Compound Name1-(4-pentylphenoxy)piperidine
PubChem CID91549351
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-pentylphenoxy)piperidine
SMILESCCCCCc1ccc(ON2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-2-3-5-8-15-9-11-16(12-10-15)18-17-13-6-4-7-14-17/h9-12H,2-8,13-14H2,1H3
InChIKeyHILOSFXWHRDDCH-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.20
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-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
1-(4-pentylphenyl)pyrrolidine
CID 168512151
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
CID 59959489
CID 59959489
1-hexoxy-4-pentylbenzene
CID 54277450
4-(4-dodecylphenoxy)phenol
CID 134258509
1-butyl-4-nonylbenzene
CID 59545302
cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
CID 161488125
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylphenoxy)piperidine?
The IUPAC name of 1-(4-pentylphenoxy)piperidine (CID 91549351) is 1-(4-pentylphenoxy)piperidine.
What is the SMILES notation for 1-(4-pentylphenoxy)piperidine?
The canonical SMILES for 1-(4-pentylphenoxy)piperidine is CCCCCc1ccc(ON2CCCCC2)cc1.
What is the InChIKey of 1-(4-pentylphenoxy)piperidine?
The InChIKey is HILOSFXWHRDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-5-8-15-9-11-16(12-10-15)18-17-13-6-4-7-14-17/h9-12H,2-8,13-14H2,1H3.
What are the key properties of 1-(4-pentylphenoxy)piperidine?
1-(4-pentylphenoxy)piperidine has a molecular weight of 247.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylphenoxy)piperidine is sourced from PubChem (CID 91549351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).