1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine

C17H35NOS — CID 46850715

IUPAC1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine
SMILESCCCCCCC(CSCCC)OCN1CCCCC1
InChIInChI=1S/C17H35NOS/c1-3-5-6-8-11-17(15-20-14-4-2)19-16-18-12-9-7-10-13-18/h17H,3-16H2,1-2H3
InChIKeyQYFOKKOXJVFYJC-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.93
Rot. Bonds12

About 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine

1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine (PubChem CID 46850715) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine
PubChem CID46850715
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine
SMILESCCCCCCC(CSCCC)OCN1CCCCC1
InChIInChI=1S/C17H35NOS/c1-3-5-6-8-11-17(15-20-14-4-2)19-16-18-12-9-7-10-13-18/h17H,3-16H2,1-2H3
InChIKeyQYFOKKOXJVFYJC-UHFFFAOYSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-butylsulfanyloctan-2-yloxymethyl)piperidine
CID 138377056
4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine
CID 138857567
1-(3-piperidin-1-ylpropylsulfanyl)octadecan-2-ol;hydrochloride
CID 70616867
1-dodecylsulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 70616979
N-butyl-N-(1-propylsulfanylhexan-2-yloxymethyl)butan-1-amine
CID 45378818
1-propylsulfanylundecan-2-amine
CID 65129364
1-hexadecan-5-ylpiperidine
CID 175488405
1-propylsulfanyloctan-2-ol
CID 65130128
1-undecan-5-ylpiperidine
CID 174506253
9-ethoxyoctadecane
CID 87148376
(2S)-1-(azepan-1-yl)-3-butylsulfanylpropan-2-ol
CID 2255692
1-(3-pentyldecyl)pyrrolidine
CID 130279619

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine?
The IUPAC name of 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine (CID 46850715) is 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine?
The canonical SMILES for 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine is CCCCCCC(CSCCC)OCN1CCCCC1.
What is the InChIKey of 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine?
The InChIKey is QYFOKKOXJVFYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-3-5-6-8-11-17(15-20-14-4-2)19-16-18-12-9-7-10-13-18/h17H,3-16H2,1-2H3.
What are the key properties of 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine?
1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine has a molecular weight of 301.54 g/mol, XLogP of 4.93, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine is sourced from PubChem (CID 46850715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).