1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine

C15H32N4O3S — CID 167867117

IUPAC1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
SMILESCC(C)OCCCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4O3S/c1-15(2)22-14-4-5-17-8-12-19(13-9-17)23(20,21)18-10-6-16(3)7-11-18/h15H,4-14H2,1-3H3
InChIKeyRICWQBYZYNWRGM-UHFFFAOYSA-N
MW348.51 g/mol
LogP-0.09
Rot. Bonds7

About 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine

1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine (PubChem CID 167867117) has the molecular formula C15H32N4O3S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
PubChem CID167867117
Molecular FormulaC15H32N4O3S
Molecular Weight348.51 g/mol
Exact Mass348.22
IUPAC Name1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
SMILESCC(C)OCCCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4O3S/c1-15(2)22-14-4-5-17-8-12-19(13-9-17)23(20,21)18-10-6-16(3)7-11-18/h15H,4-14H2,1-3H3
InChIKeyRICWQBYZYNWRGM-UHFFFAOYSA-N
XLogP-0.09
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 5-0.09
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-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine
CID 59596479
potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 167519739
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
1-methyl-4-(propan-2-yloxymethyl)piperazine
CID 45099577
ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 170620350

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine (CID 167867117) is 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine is CC(C)OCCCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine?
The InChIKey is RICWQBYZYNWRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O3S/c1-15(2)22-14-4-5-17-8-12-19(13-9-17)23(20,21)18-10-6-16(3)7-11-18/h15H,4-14H2,1-3H3.
What are the key properties of 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine?
1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine has a molecular weight of 348.51 g/mol, XLogP of -0.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 167867117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).