4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine

C17H34N2O2S — CID 69355692

IUPAC4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine
SMILESCCCC1CCN(S(=O)(=O)CCCN2CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O2S/c1-3-5-17-8-13-19(14-9-17)22(20,21)15-4-10-18-11-6-16(2)7-12-18/h16-17H,3-15H2,1-2H3
InChIKeyIDCRVTWKDUCHEQ-UHFFFAOYSA-N
MW330.54 g/mol
LogP2.95
Rot. Bonds7

About 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine

4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine (PubChem CID 69355692) has the molecular formula C17H34N2O2S and a molecular weight of 330.54 g/mol. Its IUPAC name is 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine
PubChem CID69355692
Molecular FormulaC17H34N2O2S
Molecular Weight330.54 g/mol
Exact Mass330.23
IUPAC Name4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine
SMILESCCCC1CCN(S(=O)(=O)CCCN2CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O2S/c1-3-5-17-8-13-19(14-9-17)22(20,21)15-4-10-18-11-6-16(2)7-12-18/h16-17H,3-15H2,1-2H3
InChIKeyIDCRVTWKDUCHEQ-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine?
The IUPAC name of 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine (CID 69355692) is 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine.
What is the SMILES notation for 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine?
The canonical SMILES for 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine is CCCC1CCN(S(=O)(=O)CCCN2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine?
The InChIKey is IDCRVTWKDUCHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2S/c1-3-5-17-8-13-19(14-9-17)22(20,21)15-4-10-18-11-6-16(2)7-12-18/h16-17H,3-15H2,1-2H3.
What are the key properties of 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine?
4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine has a molecular weight of 330.54 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(4-propylpiperidin-1-yl)sulfonylpropyl]piperidine is sourced from PubChem (CID 69355692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).