1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

C16H29F2N3O2S — CID 167898077

IUPAC1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(S(=O)(=O)C3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C16H29F2N3O2S/c1-19-10-12-20(13-11-19)14-4-8-21(9-5-14)24(22,23)15-2-6-16(17,18)7-3-15/h14-15H,2-13H2,1H3
InChIKeyYFPPAYMFTDUBLU-UHFFFAOYSA-N
MW365.49 g/mol
LogP1.61
Rot. Bonds3

About 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (PubChem CID 167898077) has the molecular formula C16H29F2N3O2S and a molecular weight of 365.49 g/mol. Its IUPAC name is 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
PubChem CID167898077
Molecular FormulaC16H29F2N3O2S
Molecular Weight365.49 g/mol
Exact Mass365.19
IUPAC Name1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(S(=O)(=O)C3CCC(F)(F)CC3)CC2)CC1
InChIInChI=1S/C16H29F2N3O2S/c1-19-10-12-20(13-11-19)14-4-8-21(9-5-14)24(22,23)15-2-6-16(17,18)7-3-15/h14-15H,2-13H2,1H3
InChIKeyYFPPAYMFTDUBLU-UHFFFAOYSA-N
XLogP1.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (CID 167898077) is 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is CN1CCN(C2CCN(S(=O)(=O)C3CCC(F)(F)CC3)CC2)CC1.
What is the InChIKey of 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The InChIKey is YFPPAYMFTDUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N3O2S/c1-19-10-12-20(13-11-19)14-4-8-21(9-5-14)24(22,23)15-2-6-16(17,18)7-3-15/h14-15H,2-13H2,1H3.
What are the key properties of 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine has a molecular weight of 365.49 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-difluorocyclohexyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 167898077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).