1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine

C18H26F2N2O3S — CID 118314260

IUPAC1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
SMILESCC1CCCN(C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)C1
InChIInChI=1S/C18H26F2N2O3S/c1-14-3-2-10-21(13-14)15-8-11-22(12-9-15)26(23,24)17-6-4-16(5-7-17)25-18(19)20/h4-7,14-15,18H,2-3,8-13H2,1H3
InChIKeyCTOPGGQMBXKITK-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.17
Rot. Bonds5

About 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine

1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine (PubChem CID 118314260) has the molecular formula C18H26F2N2O3S and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
PubChem CID118314260
Molecular FormulaC18H26F2N2O3S
Molecular Weight388.48 g/mol
Exact Mass388.16
IUPAC Name1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
SMILESCC1CCCN(C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)C1
InChIInChI=1S/C18H26F2N2O3S/c1-14-3-2-10-21(13-14)15-8-11-22(12-9-15)26(23,24)17-6-4-16(5-7-17)25-18(19)20/h4-7,14-15,18H,2-3,8-13H2,1H3
InChIKeyCTOPGGQMBXKITK-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine?
The IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine (CID 118314260) is 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine is CC1CCCN(C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)C1.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine?
The InChIKey is CTOPGGQMBXKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3S/c1-14-3-2-10-21(13-14)15-8-11-22(12-9-15)26(23,24)17-6-4-16(5-7-17)25-18(19)20/h4-7,14-15,18H,2-3,8-13H2,1H3.
What are the key properties of 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine?
1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine has a molecular weight of 388.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine is sourced from PubChem (CID 118314260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).