1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C19H30N2O3S — CID 138628013

IUPAC1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-6-10-20(11-7-15)17-8-12-21(13-9-17)25(22,23)19-5-4-16(2)14-18(19)24-3/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyCTEQXMJXYVCEFB-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.89
Rot. Bonds4

About 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 138628013) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID138628013
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-6-10-20(11-7-15)17-8-12-21(13-9-17)25(22,23)19-5-4-16(2)14-18(19)24-3/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyCTEQXMJXYVCEFB-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 138628013) is 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is COc1cc(C)ccc1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1.
What is the InChIKey of 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is CTEQXMJXYVCEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15-6-10-20(11-7-15)17-8-12-21(13-9-17)25(22,23)19-5-4-16(2)14-18(19)24-3/h4-5,14-15,17H,6-13H2,1-3H3.
What are the key properties of 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 366.53 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138628013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).