1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine

C18H36N4O2S — CID 91267630

IUPAC1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine
SMILESCN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3C)CC2)CC1
InChIInChI=1S/C18H36N4O2S/c1-19-10-7-18(8-11-19)21-12-14-22(15-13-21)25(23,24)16-4-6-17-5-3-9-20(17)2/h17-18H,3-16H2,1-2H3
InChIKeyWYZUTWNXTOTLMD-UHFFFAOYSA-N
MW372.58 g/mol
LogP0.90
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine

1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine (PubChem CID 91267630) has the molecular formula C18H36N4O2S and a molecular weight of 372.58 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine
PubChem CID91267630
Molecular FormulaC18H36N4O2S
Molecular Weight372.58 g/mol
Exact Mass372.26
IUPAC Name1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine
SMILESCN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3C)CC2)CC1
InChIInChI=1S/C18H36N4O2S/c1-19-10-7-18(8-11-19)21-12-14-22(15-13-21)25(23,24)16-4-6-17-5-3-9-20(17)2/h17-18H,3-16H2,1-2H3
InChIKeyWYZUTWNXTOTLMD-UHFFFAOYSA-N
XLogP0.90
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine (CID 91267630) is 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine is CN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3C)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine?
The InChIKey is WYZUTWNXTOTLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2S/c1-19-10-7-18(8-11-19)21-12-14-22(15-13-21)25(23,24)16-4-6-17-5-3-9-20(17)2/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine?
1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine has a molecular weight of 372.58 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine is sourced from PubChem (CID 91267630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).