1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone

C19H21F2N3O — CID 68937211

IUPAC1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCN(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O/c20-17-2-1-15(13-18(17)21)5-8-23-9-11-24(12-10-23)19(25)14-16-3-6-22-7-4-16/h1-4,6-7,13H,5,8-12,14H2
InChIKeyKUSGEZCTBYZHEB-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.29
Rot. Bonds5

About 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone

1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 68937211) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone
PubChem CID68937211
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCN(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O/c20-17-2-1-15(13-18(17)21)5-8-23-9-11-24(12-10-23)19(25)14-16-3-6-22-7-4-16/h1-4,6-7,13H,5,8-12,14H2
InChIKeyKUSGEZCTBYZHEB-UHFFFAOYSA-N
XLogP2.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 43501406
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-pyridin-4-ylethanone
CID 63308156
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075178
2-(4-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984309
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
2-(3-bromo-4-fluorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 71939675
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone (CID 68937211) is 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCN(CCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is KUSGEZCTBYZHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-17-2-1-15(13-18(17)21)5-8-23-9-11-24(12-10-23)19(25)14-16-3-6-22-7-4-16/h1-4,6-7,13H,5,8-12,14H2.
What are the key properties of 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone?
1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 345.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 68937211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).