1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine

C14H29N3O2S — CID 59639418

IUPAC1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine
SMILESCC(C)CC1(N2CCNCC2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O2S/c1-13(2)12-14(16-10-6-15-7-11-16)4-8-17(9-5-14)20(3,18)19/h13,15H,4-12H2,1-3H3
InChIKeyWGLMVLDTJDWUES-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.73
Rot. Bonds4

About 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine

1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine (PubChem CID 59639418) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine
PubChem CID59639418
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine
SMILESCC(C)CC1(N2CCNCC2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O2S/c1-13(2)12-14(16-10-6-15-7-11-16)4-8-17(9-5-14)20(3,18)19/h13,15H,4-12H2,1-3H3
InChIKeyWGLMVLDTJDWUES-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine?
The IUPAC name of 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine (CID 59639418) is 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine is CC(C)CC1(N2CCNCC2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine?
The InChIKey is WGLMVLDTJDWUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13(2)12-14(16-10-6-15-7-11-16)4-8-17(9-5-14)20(3,18)19/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine?
1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine has a molecular weight of 303.47 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine is sourced from PubChem (CID 59639418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).