1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one

C14H23F2NO — CID 114225551

IUPAC1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(CC1CCCNC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-3-11(9-14)7-13(18)8-12-4-2-6-17-10-12/h11-12,17H,1-10H2
InChIKeyDBEHHAHRQIWLBA-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.16
Rot. Bonds4

About 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one

1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one (PubChem CID 114225551) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one
PubChem CID114225551
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(CC1CCCNC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-3-11(9-14)7-13(18)8-12-4-2-6-17-10-12/h11-12,17H,1-10H2
InChIKeyDBEHHAHRQIWLBA-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one (CID 114225551) is 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one is O=C(CC1CCCNC1)CC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is DBEHHAHRQIWLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-14(16)5-1-3-11(9-14)7-13(18)8-12-4-2-6-17-10-12/h11-12,17H,1-10H2.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one?
1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 259.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 114225551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).