1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine

C22H29NO5S — CID 55476665

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(CCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H29NO5S/c1-26-19-8-6-17(7-9-19)4-5-18-12-14-23(15-13-18)29(24,25)20-10-11-21(27-2)22(16-20)28-3/h6-11,16,18H,4-5,12-15H2,1-3H3
InChIKeyTWCVWUCMWNZPRS-UHFFFAOYSA-N
MW419.54 g/mol
LogP3.75
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine

1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine (PubChem CID 55476665) has the molecular formula C22H29NO5S and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
PubChem CID55476665
Molecular FormulaC22H29NO5S
Molecular Weight419.54 g/mol
Exact Mass419.18
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(CCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H29NO5S/c1-26-19-8-6-17(7-9-19)4-5-18-12-14-23(15-13-18)29(24,25)20-10-11-21(27-2)22(16-20)28-3/h6-11,16,18H,4-5,12-15H2,1-3H3
InChIKeyTWCVWUCMWNZPRS-UHFFFAOYSA-N
XLogP3.75
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46669645
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396998
(3R,4R)-4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonyl-1,1-dioxothiolan-3-ol
CID 51596205
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine (CID 55476665) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine is COc1ccc(CCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine?
The InChIKey is TWCVWUCMWNZPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5S/c1-26-19-8-6-17(7-9-19)4-5-18-12-14-23(15-13-18)29(24,25)20-10-11-21(27-2)22(16-20)28-3/h6-11,16,18H,4-5,12-15H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine has a molecular weight of 419.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 55476665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).