1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine

C14H29N3O2S — CID 83198486

IUPAC1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine
SMILESCC(C)(CN1CCN(S(C)(=O)=O)CC1)C1CCCNC1
InChIInChI=1S/C14H29N3O2S/c1-14(2,13-5-4-6-15-11-13)12-16-7-9-17(10-8-16)20(3,18)19/h13,15H,4-12H2,1-3H3
InChIKeySKGLAINTQSMAKZ-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.59
Rot. Bonds4

About 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine

1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine (PubChem CID 83198486) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine
PubChem CID83198486
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine
SMILESCC(C)(CN1CCN(S(C)(=O)=O)CC1)C1CCCNC1
InChIInChI=1S/C14H29N3O2S/c1-14(2,13-5-4-6-15-11-13)12-16-7-9-17(10-8-16)20(3,18)19/h13,15H,4-12H2,1-3H3
InChIKeySKGLAINTQSMAKZ-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine (CID 83198486) is 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine is CC(C)(CN1CCN(S(C)(=O)=O)CC1)C1CCCNC1.
What is the InChIKey of 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine?
The InChIKey is SKGLAINTQSMAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(2,13-5-4-6-15-11-13)12-16-7-9-17(10-8-16)20(3,18)19/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine?
1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine has a molecular weight of 303.47 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 83198486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).