4-(4-octoxyphenyl)piperidine

C19H31NO — CID 90176821

IUPAC4-(4-octoxyphenyl)piperidine
SMILESCCCCCCCCOc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-16-21-19-10-8-17(9-11-19)18-12-14-20-15-13-18/h8-11,18,20H,2-7,12-16H2,1H3
InChIKeyWFRMQGONNVQLOV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.89
Rot. Bonds9

About 4-(4-octoxyphenyl)piperidine

4-(4-octoxyphenyl)piperidine (PubChem CID 90176821) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-(4-octoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(4-octoxyphenyl)piperidine
PubChem CID90176821
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-(4-octoxyphenyl)piperidine
SMILESCCCCCCCCOc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-16-21-19-10-8-17(9-11-19)18-12-14-20-15-13-18/h8-11,18,20H,2-7,12-16H2,1H3
InChIKeyWFRMQGONNVQLOV-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-heptoxybenzene
CID 56628106
4-(4-piperidin-4-ylphenoxy)butan-1-ol
CID 143066342
3,11-bis(4-nonoxyphenyl)dispiro[5.1.58.16]tetradecane
CID 159804370
4-(4-ethoxyphenyl)piperidine
CID 21495191
4-(4-heptoxyphenyl)cyclohexan-1-one
CID 71477093
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
2-(4-piperidin-4-ylphenoxy)ethanamine
CID 115032196
N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;hydrochloride
CID 164705135
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032

Frequently Asked Questions

What is the IUPAC name of 4-(4-octoxyphenyl)piperidine?
The IUPAC name of 4-(4-octoxyphenyl)piperidine (CID 90176821) is 4-(4-octoxyphenyl)piperidine.
What is the SMILES notation for 4-(4-octoxyphenyl)piperidine?
The canonical SMILES for 4-(4-octoxyphenyl)piperidine is CCCCCCCCOc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-(4-octoxyphenyl)piperidine?
The InChIKey is WFRMQGONNVQLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-4-5-6-7-16-21-19-10-8-17(9-11-19)18-12-14-20-15-13-18/h8-11,18,20H,2-7,12-16H2,1H3.
What are the key properties of 4-(4-octoxyphenyl)piperidine?
4-(4-octoxyphenyl)piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-octoxyphenyl)piperidine is sourced from PubChem (CID 90176821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).