3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine

C14H21NO2S — CID 84755004

IUPAC3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine
SMILESCOc1ccc(OCCSC2CCCNC2)cc1
InChIInChI=1S/C14H21NO2S/c1-16-12-4-6-13(7-5-12)17-9-10-18-14-3-2-8-15-11-14/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyURFGGTPUBLLQJU-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.56
Rot. Bonds6

About 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine

3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine (PubChem CID 84755004) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine
PubChem CID84755004
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine
SMILESCOc1ccc(OCCSC2CCCNC2)cc1
InChIInChI=1S/C14H21NO2S/c1-16-12-4-6-13(7-5-12)17-9-10-18-14-3-2-8-15-11-14/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyURFGGTPUBLLQJU-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
3-(4-methoxyphenyl)piperidine
CID 12937920
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
3-[2-(4-methoxyphenoxy)ethyl]piperidin-4-ol
CID 114451831
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
CID 82251090
3-(4-propoxyphenoxy)piperidine
CID 53409332

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine (CID 84755004) is 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine is COc1ccc(OCCSC2CCCNC2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine?
The InChIKey is URFGGTPUBLLQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-12-4-6-13(7-5-12)17-9-10-18-14-3-2-8-15-11-14/h4-7,14-15H,2-3,8-11H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine?
3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine has a molecular weight of 267.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine is sourced from PubChem (CID 84755004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).