1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride

C32H36ClNO3S — CID 68515082

IUPAC1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(SC)cc3C)ccc2c1.Cl
InChIInChI=1S/C32H35NO3S.ClH/c1-23-21-28(37-3)13-16-29(23)31-14-7-24-22-27(34-2)12-15-30(24)32(31)36-26-10-8-25(9-11-26)35-20-19-33-17-5-4-6-18-33;/h7-16,21-22H,4-6,17-20H2,1-3H3;1H
InChIKeyWSGDKIZBEWNBBO-UHFFFAOYSA-N
MW550.16 g/mol
LogP8.62
Rot. Bonds9

About 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride

1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride (PubChem CID 68515082) has the molecular formula C32H36ClNO3S and a molecular weight of 550.16 g/mol. Its IUPAC name is 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
PubChem CID68515082
Molecular FormulaC32H36ClNO3S
Molecular Weight550.16 g/mol
Exact Mass549.21
IUPAC Name1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(SC)cc3C)ccc2c1.Cl
InChIInChI=1S/C32H35NO3S.ClH/c1-23-21-28(37-3)13-16-29(23)31-14-7-24-22-27(34-2)12-15-30(24)32(31)36-26-10-8-25(9-11-26)35-20-19-33-17-5-4-6-18-33;/h7-16,21-22H,4-6,17-20H2,1-3H3;1H
InChIKeyWSGDKIZBEWNBBO-UHFFFAOYSA-N
XLogP8.62
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.16
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
1-[2-[4-[6-methoxy-2-(3-methylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338581
4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
CID 58338572
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 58834554
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide
CID 58338549
2,3-dichloro-4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzenesulfinate
CID 71192481
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
CID 59751453
1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338562

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride (CID 68515082) is 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(SC)cc3C)ccc2c1.Cl.
What is the InChIKey of 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride?
The InChIKey is WSGDKIZBEWNBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO3S.ClH/c1-23-21-28(37-3)13-16-29(23)31-14-7-24-22-27(34-2)12-15-30(24)32(31)36-26-10-8-25(9-11-26)35-20-19-33-17-5-4-6-18-33;/h7-16,21-22H,4-6,17-20H2,1-3H3;1H.
What are the key properties of 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride?
1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride has a molecular weight of 550.16 g/mol, XLogP of 8.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 68515082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).