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

C17H26N2O3S — CID 91916313

IUPAC4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2O3S/c1-18-11-7-15(8-12-18)22-16-9-13-19(14-10-16)23(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyQMFFCPKCGUTYBT-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.95
Rot. Bonds4

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

4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine (PubChem CID 91916313) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine
PubChem CID91916313
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2O3S/c1-18-11-7-15(8-12-18)22-16-9-13-19(14-10-16)23(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyQMFFCPKCGUTYBT-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine?
The IUPAC name of 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine (CID 91916313) is 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine?
The canonical SMILES for 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine is CN1CCC(OC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine?
The InChIKey is QMFFCPKCGUTYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18-11-7-15(8-12-18)22-16-9-13-19(14-10-16)23(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3.
What are the key properties of 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine?
4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine has a molecular weight of 338.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-1-methylpiperidine is sourced from PubChem (CID 91916313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).