1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine

C17H19F2N3 — CID 110452657

IUPAC1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCC(c1ccccn1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H19F2N3/c1-13(16-4-2-3-7-20-16)21-8-10-22(11-9-21)17-6-5-14(18)12-15(17)19/h2-7,12-13H,8-11H2,1H3
InChIKeyDRRPSQHEOQGIDE-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.24
Rot. Bonds3

About 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine

1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine (PubChem CID 110452657) has the molecular formula C17H19F2N3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
PubChem CID110452657
Molecular FormulaC17H19F2N3
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCC(c1ccccn1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H19F2N3/c1-13(16-4-2-3-7-20-16)21-8-10-22(11-9-21)17-6-5-14(18)12-15(17)19/h2-7,12-13H,8-11H2,1H3
InChIKeyDRRPSQHEOQGIDE-UHFFFAOYSA-N
XLogP3.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
CID 110452660
1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454927
4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole
CID 100683576
1-[3-fluoro-5-(2-methylpropyl)-2-(2H-tetrazol-5-yl)phenyl]-4-(1-pyridin-2-ylethyl)piperazine
CID 171779775
1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
CID 123523623
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone
CID 99701659
(3,5-difluoro-4-hydroxyphenyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86793671
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
N-[4-[4-(dipyridin-2-ylmethyl)piperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
CID 68933477
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine (CID 110452657) is 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine is CC(c1ccccn1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine?
The InChIKey is DRRPSQHEOQGIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3/c1-13(16-4-2-3-7-20-16)21-8-10-22(11-9-21)17-6-5-14(18)12-15(17)19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine?
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine has a molecular weight of 303.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 110452657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).