1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine

C16H25NOS — CID 100673269

IUPAC1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine
SMILESCCSc1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C16H25NOS/c1-2-19-16-10-5-4-9-15(16)18-14-8-13-17-11-6-3-7-12-17/h4-5,9-10H,2-3,6-8,11-14H2,1H3
InChIKeyZMPGSWNRFCYEMA-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.05
Rot. Bonds7

About 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine

1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine (PubChem CID 100673269) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine
PubChem CID100673269
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine
SMILESCCSc1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C16H25NOS/c1-2-19-16-10-5-4-9-15(16)18-14-8-13-17-11-6-3-7-12-17/h4-5,9-10H,2-3,6-8,11-14H2,1H3
InChIKeyZMPGSWNRFCYEMA-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.05
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-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
1-[3-(3-bromo-2-methylphenoxy)propyl]piperidine
CID 163215227
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine (CID 100673269) is 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine is CCSc1ccccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine?
The InChIKey is ZMPGSWNRFCYEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-19-16-10-5-4-9-15(16)18-14-8-13-17-11-6-3-7-12-17/h4-5,9-10H,2-3,6-8,11-14H2,1H3.
What are the key properties of 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine?
1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine has a molecular weight of 279.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine is sourced from PubChem (CID 100673269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).