[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone

C16H21F2N3O2 — CID 143176326

IUPAC[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2N3O2/c17-14-2-1-13(11-15(14)18)23-12-3-7-20(8-4-12)16(22)21-9-5-19-6-10-21/h1-2,11-12,19H,3-10H2
InChIKeySOAIYNBBXATLBG-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.83
Rot. Bonds2

About [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone

[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone (PubChem CID 143176326) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone
PubChem CID143176326
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2N3O2/c17-14-2-1-13(11-15(14)18)23-12-3-7-20(8-4-12)16(22)21-9-5-19-6-10-21/h1-2,11-12,19H,3-10H2
InChIKeySOAIYNBBXATLBG-UHFFFAOYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone (CID 143176326) is [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)N1CCC(Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone?
The InChIKey is SOAIYNBBXATLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c17-14-2-1-13(11-15(14)18)23-12-3-7-20(8-4-12)16(22)21-9-5-19-6-10-21/h1-2,11-12,19H,3-10H2.
What are the key properties of [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone?
[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone has a molecular weight of 325.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 143176326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).