2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone

C18H25F2N3O2 — CID 70821879

IUPAC2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCN(c2ccc(C(F)F)nc2)CC1
InChIInChI=1S/C18H25F2N3O2/c19-18(20)16-7-6-14(12-21-16)22-8-10-23(11-9-22)17(24)13-25-15-4-2-1-3-5-15/h6-7,12,15,18H,1-5,8-11,13H2
InChIKeyHAGADTJOHKQMDV-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.02
Rot. Bonds5

About 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone

2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 70821879) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID70821879
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCN(c2ccc(C(F)F)nc2)CC1
InChIInChI=1S/C18H25F2N3O2/c19-18(20)16-7-6-14(12-21-16)22-8-10-23(11-9-22)17(24)13-25-15-4-2-1-3-5-15/h6-7,12,15,18H,1-5,8-11,13H2
InChIKeyHAGADTJOHKQMDV-UHFFFAOYSA-N
XLogP3.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone (CID 70821879) is 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone is O=C(COC1CCCCC1)N1CCN(c2ccc(C(F)F)nc2)CC1.
What is the InChIKey of 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is HAGADTJOHKQMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c19-18(20)16-7-6-14(12-21-16)22-8-10-23(11-9-22)17(24)13-25-15-4-2-1-3-5-15/h6-7,12,15,18H,1-5,8-11,13H2.
What are the key properties of 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone?
2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 353.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[4-[6-(difluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70821879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).