1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C19H30N2O2S — CID 146628042

IUPAC1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H30N2O2S/c1-3-17-4-6-19(7-5-17)24(22,23)21-14-10-18(11-15-21)20-12-8-16(2)9-13-20/h4-7,16,18H,3,8-15H2,1-2H3
InChIKeyCAQOJLFJCCOPDB-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.13
Rot. Bonds4

About 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 146628042) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID146628042
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H30N2O2S/c1-3-17-4-6-19(7-5-17)24(22,23)21-14-10-18(11-15-21)20-12-8-16(2)9-13-20/h4-7,16,18H,3,8-15H2,1-2H3
InChIKeyCAQOJLFJCCOPDB-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 146628042) is 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is CCc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is CAQOJLFJCCOPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-3-17-4-6-19(7-5-17)24(22,23)21-14-10-18(11-15-21)20-12-8-16(2)9-13-20/h4-7,16,18H,3,8-15H2,1-2H3.
What are the key properties of 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 350.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 146628042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).