1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine

C17H34N4O2S — CID 129082760

IUPAC1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine
SMILESCC(C)(N1CCCC1)N1CCN(C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C17H34N4O2S/c1-17(2,19-8-4-5-9-19)20-14-12-18(13-15-20)16-6-10-21(11-7-16)24(3,22)23/h16H,4-15H2,1-3H3
InChIKeyOIHZESWNUUBFNE-UHFFFAOYSA-N
MW358.55 g/mol
LogP0.86
Rot. Bonds4

About 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine

1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine (PubChem CID 129082760) has the molecular formula C17H34N4O2S and a molecular weight of 358.55 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine
PubChem CID129082760
Molecular FormulaC17H34N4O2S
Molecular Weight358.55 g/mol
Exact Mass358.24
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine
SMILESCC(C)(N1CCCC1)N1CCN(C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C17H34N4O2S/c1-17(2,19-8-4-5-9-19)20-14-12-18(13-15-20)16-6-10-21(11-7-16)24(3,22)23/h16H,4-15H2,1-3H3
InChIKeyOIHZESWNUUBFNE-UHFFFAOYSA-N
XLogP0.86
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine (CID 129082760) is 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine is CC(C)(N1CCCC1)N1CCN(C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine?
The InChIKey is OIHZESWNUUBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S/c1-17(2,19-8-4-5-9-19)20-14-12-18(13-15-20)16-6-10-21(11-7-16)24(3,22)23/h16H,4-15H2,1-3H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine?
1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine has a molecular weight of 358.55 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)piperazine is sourced from PubChem (CID 129082760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).