2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine

C20H21F2N3O — CID 166443220

IUPAC2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine
SMILESFC(F)C(CC1CCN(c2ncccn2)CC1)c1ccc2occc2c1
InChIInChI=1S/C20H21F2N3O/c21-19(22)17(15-2-3-18-16(13-15)6-11-26-18)12-14-4-9-25(10-5-14)20-23-7-1-8-24-20/h1-3,6-8,11,13-14,17,19H,4-5,9-10,12H2
InChIKeySVFJSLYPDRGIND-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.88
Rot. Bonds5

About 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine

2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine (PubChem CID 166443220) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine
PubChem CID166443220
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine
SMILESFC(F)C(CC1CCN(c2ncccn2)CC1)c1ccc2occc2c1
InChIInChI=1S/C20H21F2N3O/c21-19(22)17(15-2-3-18-16(13-15)6-11-26-18)12-14-4-9-25(10-5-14)20-23-7-1-8-24-20/h1-3,6-8,11,13-14,17,19H,4-5,9-10,12H2
InChIKeySVFJSLYPDRGIND-UHFFFAOYSA-N
XLogP4.88
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
1-[4-(1-Benzofuran-5-yl)pyridin-2-yl]piperazine
CID 155920137
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600
(1S,4S)-2-(5-(benzofuran-5-yl)pyrimidin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890827
(1S,4S)-2-(5-(benzofuran-5-yl)pyridin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890952
(3,3-Difluoroazetidin-1-yl)-[4-[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-yl]phenyl]methanone
CID 71457626
2-Benzo[e][1]benzofuran-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2549123
7-[1-(1-Benzofuran-5-ylmethyl)piperidin-3-yl]-5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162658231
1-(5-Coumaranyl carbonyl)-4-(2-pyrimidinyl) piperazine
CID 45809673
4-[5-(1-Benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 134831649
5-(1-Benzofuran-2-yl)pyrimidine
CID 10631732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine (CID 166443220) is 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine is FC(F)C(CC1CCN(c2ncccn2)CC1)c1ccc2occc2c1.
What is the InChIKey of 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine?
The InChIKey is SVFJSLYPDRGIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-19(22)17(15-2-3-18-16(13-15)6-11-26-18)12-14-4-9-25(10-5-14)20-23-7-1-8-24-20/h1-3,6-8,11,13-14,17,19H,4-5,9-10,12H2.
What are the key properties of 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine?
2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine has a molecular weight of 357.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 166443220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).