3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine

C30H31NO2S — CID 22128244

IUPAC3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine
SMILESc1ccc(SCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C30H31NO2S/c1-2-8-28(9-3-1)34-19-18-32-27-14-12-25(13-15-27)29-16-17-31-21-30(29)33-22-23-10-11-24-6-4-5-7-26(24)20-23/h1-15,20,29-31H,16-19,21-22H2
InChIKeyKERVGXYJXYFSPH-UHFFFAOYSA-N
MW469.65 g/mol
LogP6.67
Rot. Bonds9

About 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine

3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine (PubChem CID 22128244) has the molecular formula C30H31NO2S and a molecular weight of 469.65 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine
PubChem CID22128244
Molecular FormulaC30H31NO2S
Molecular Weight469.65 g/mol
Exact Mass469.21
IUPAC Name3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine
SMILESc1ccc(SCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C30H31NO2S/c1-2-8-28(9-3-1)34-19-18-32-27-14-12-25(13-15-27)29-16-17-31-21-30(29)33-22-23-10-11-24-6-4-5-7-26(24)20-23/h1-15,20,29-31H,16-19,21-22H2
InChIKeyKERVGXYJXYFSPH-UHFFFAOYSA-N
XLogP6.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.65
LogP ≤ 56.67
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

(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509
3-(naphthalen-2-ylmethoxy)-4-[4-[2-(piperidin-4-ylmethoxy)ethoxy]phenyl]piperidine
CID 139787520
4-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethoxymethyl]pyridine
CID 22128809
4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 22127050
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22128155

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine?
The IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine (CID 22128244) is 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine.
What is the SMILES notation for 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine?
The canonical SMILES for 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine is c1ccc(SCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine?
The InChIKey is KERVGXYJXYFSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2S/c1-2-8-28(9-3-1)34-19-18-32-27-14-12-25(13-15-27)29-16-17-31-21-30(29)33-22-23-10-11-24-6-4-5-7-26(24)20-23/h1-15,20,29-31H,16-19,21-22H2.
What are the key properties of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine?
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine has a molecular weight of 469.65 g/mol, XLogP of 6.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine is sourced from PubChem (CID 22128244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).