3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine

C15H30N2O2S — CID 122132509

IUPAC3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
SMILESCC1CCN(CC2CCCN(CCS(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H30N2O2S/c1-14-5-8-17(9-6-14)13-15-4-3-7-16(12-15)10-11-20(2,18)19/h14-15H,3-13H2,1-2H3
InChIKeySYOAQLJSGJLFGM-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.47
Rot. Bonds5

About 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine

3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine (PubChem CID 122132509) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
PubChem CID122132509
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
SMILESCC1CCN(CC2CCCN(CCS(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H30N2O2S/c1-14-5-8-17(9-6-14)13-15-4-3-7-16(12-15)10-11-20(2,18)19/h14-15H,3-13H2,1-2H3
InChIKeySYOAQLJSGJLFGM-UHFFFAOYSA-N
XLogP1.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine (CID 122132509) is 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine is CC1CCN(CC2CCCN(CCS(C)(=O)=O)C2)CC1.
What is the InChIKey of 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine?
The InChIKey is SYOAQLJSGJLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-14-5-8-17(9-6-14)13-15-4-3-7-16(12-15)10-11-20(2,18)19/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine?
3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine has a molecular weight of 302.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 122132509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).