1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine

C17H26N2O2S — CID 118308417

IUPAC1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2O2S/c1-15-7-11-18(12-8-15)16-9-13-19(14-10-16)22(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyPZIQJSYBKZCQCJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.57
Rot. Bonds3

About 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine

1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine (PubChem CID 118308417) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine
PubChem CID118308417
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2O2S/c1-15-7-11-18(12-8-15)16-9-13-19(14-10-16)22(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyPZIQJSYBKZCQCJ-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine (CID 118308417) is 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine?
The InChIKey is PZIQJSYBKZCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-15-7-11-18(12-8-15)16-9-13-19(14-10-16)22(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine?
1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine has a molecular weight of 322.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).