4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine

C15H25NO2S — CID 70954592

IUPAC4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine
SMILESCCCN1CCC(C2=CC=CC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H25NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,13,15H,3,7-12H2,1-2H3
InChIKeyQWAWELMZGIIKJY-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.41
Rot. Bonds4

About 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine

4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine (PubChem CID 70954592) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine
PubChem CID70954592
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine
SMILESCCCN1CCC(C2=CC=CC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H25NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,13,15H,3,7-12H2,1-2H3
InChIKeyQWAWELMZGIIKJY-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine?
The IUPAC name of 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine (CID 70954592) is 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine.
What is the SMILES notation for 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine?
The canonical SMILES for 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine is CCCN1CCC(C2=CC=CC(S(C)(=O)=O)C2)CC1.
What is the InChIKey of 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine?
The InChIKey is QWAWELMZGIIKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,13,15H,3,7-12H2,1-2H3.
What are the key properties of 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine?
4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine has a molecular weight of 283.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine is sourced from PubChem (CID 70954592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).