1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine

C32H35NO4S — CID 141081395

IUPAC1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCCCS(=O)(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H35NO4S/c1-2-24-38(34,35)29-17-10-26(11-18-29)31-19-12-25-8-4-5-9-30(25)32(31)37-28-15-13-27(14-16-28)36-23-22-33-20-6-3-7-21-33/h4-5,8-19H,2-3,6-7,20-24H2,1H3
InChIKeyJQIDCGDQPIZUKV-UHFFFAOYSA-N
MW529.70 g/mol
LogP7.35
Rot. Bonds10

About 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine

1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine (PubChem CID 141081395) has the molecular formula C32H35NO4S and a molecular weight of 529.70 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
PubChem CID141081395
Molecular FormulaC32H35NO4S
Molecular Weight529.70 g/mol
Exact Mass529.23
IUPAC Name1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCCCS(=O)(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H35NO4S/c1-2-24-38(34,35)29-17-10-26(11-18-29)31-19-12-25-8-4-5-9-30(25)32(31)37-28-15-13-27(14-16-28)36-23-22-33-20-6-3-7-21-33/h4-5,8-19H,2-3,6-7,20-24H2,1H3
InChIKeyJQIDCGDQPIZUKV-UHFFFAOYSA-N
XLogP7.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.70
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]naphthalen-2-ol;hydrochloride
CID 68519458
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
CID 10053779
butanedioic acid;6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 68516743
[6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate
CID 59751421
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine
CID 70015592
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one
CID 69440011

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine (CID 141081395) is 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine is CCCS(=O)(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The InChIKey is JQIDCGDQPIZUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO4S/c1-2-24-38(34,35)29-17-10-26(11-18-29)31-19-12-25-8-4-5-9-30(25)32(31)37-28-15-13-27(14-16-28)36-23-22-33-20-6-3-7-21-33/h4-5,8-19H,2-3,6-7,20-24H2,1H3.
What are the key properties of 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine has a molecular weight of 529.70 g/mol, XLogP of 7.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine is sourced from PubChem (CID 141081395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).