piperidin-4-yl-(4-propylsulfanylphenyl)methanone

C15H21NOS — CID 82553748

IUPACpiperidin-4-yl-(4-propylsulfanylphenyl)methanone
SMILESCCCSc1ccc(C(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H21NOS/c1-2-11-18-14-5-3-12(4-6-14)15(17)13-7-9-16-10-8-13/h3-6,13,16H,2,7-11H2,1H3
InChIKeyJZROOPUXOSFXPY-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds5

About piperidin-4-yl-(4-propylsulfanylphenyl)methanone

piperidin-4-yl-(4-propylsulfanylphenyl)methanone (PubChem CID 82553748) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is piperidin-4-yl-(4-propylsulfanylphenyl)methanone.

Molecular Properties

Compound Namepiperidin-4-yl-(4-propylsulfanylphenyl)methanone
PubChem CID82553748
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Namepiperidin-4-yl-(4-propylsulfanylphenyl)methanone
SMILESCCCSc1ccc(C(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H21NOS/c1-2-11-18-14-5-3-12(4-6-14)15(17)13-7-9-16-10-8-13/h3-6,13,16H,2,7-11H2,1H3
InChIKeyJZROOPUXOSFXPY-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(4-propylsulfanylphenyl)methanone?
The IUPAC name of piperidin-4-yl-(4-propylsulfanylphenyl)methanone (CID 82553748) is piperidin-4-yl-(4-propylsulfanylphenyl)methanone.
What is the SMILES notation for piperidin-4-yl-(4-propylsulfanylphenyl)methanone?
The canonical SMILES for piperidin-4-yl-(4-propylsulfanylphenyl)methanone is CCCSc1ccc(C(=O)C2CCNCC2)cc1.
What is the InChIKey of piperidin-4-yl-(4-propylsulfanylphenyl)methanone?
The InChIKey is JZROOPUXOSFXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-11-18-14-5-3-12(4-6-14)15(17)13-7-9-16-10-8-13/h3-6,13,16H,2,7-11H2,1H3.
What are the key properties of piperidin-4-yl-(4-propylsulfanylphenyl)methanone?
piperidin-4-yl-(4-propylsulfanylphenyl)methanone has a molecular weight of 263.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(4-propylsulfanylphenyl)methanone is sourced from PubChem (CID 82553748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).