1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine

C20H33N3O4S — CID 166183602

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
SMILESCC1CCN(S(=O)(=O)N2CCN(CCOCCOc3ccccc3)CC2)CC1
InChIInChI=1S/C20H33N3O4S/c1-19-7-9-22(10-8-19)28(24,25)23-13-11-21(12-14-23)15-16-26-17-18-27-20-5-3-2-4-6-20/h2-6,19H,7-18H2,1H3
InChIKeyHTPBNRPKDJBHLU-UHFFFAOYSA-N
MW411.57 g/mol
LogP1.68
Rot. Bonds9

About 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine

1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine (PubChem CID 166183602) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
PubChem CID166183602
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
SMILESCC1CCN(S(=O)(=O)N2CCN(CCOCCOc3ccccc3)CC2)CC1
InChIInChI=1S/C20H33N3O4S/c1-19-7-9-22(10-8-19)28(24,25)23-13-11-21(12-14-23)15-16-26-17-18-27-20-5-3-2-4-6-20/h2-6,19H,7-18H2,1H3
InChIKeyHTPBNRPKDJBHLU-UHFFFAOYSA-N
XLogP1.68
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2270733
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
(1-ethylsulfonylpiperidin-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55395381
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978
N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine
CID 142409443
3,5-dimethyl-1-[2-[2-(3-phenoxyphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2935913
1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 71933259

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine (CID 166183602) is 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine is CC1CCN(S(=O)(=O)N2CCN(CCOCCOc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine?
The InChIKey is HTPBNRPKDJBHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-19-7-9-22(10-8-19)28(24,25)23-13-11-21(12-14-23)15-16-26-17-18-27-20-5-3-2-4-6-20/h2-6,19H,7-18H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine?
1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine has a molecular weight of 411.57 g/mol, XLogP of 1.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine is sourced from PubChem (CID 166183602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).