1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine

C15H14ClF2N3 — CID 163356497

IUPAC1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)c(F)c1
InChIInChI=1S/C15H14ClF2N3/c16-11-1-4-15(19-10-11)21-7-5-20(6-8-21)14-3-2-12(17)9-13(14)18/h1-4,9-10H,5-8H2
InChIKeyFZSPWCPOGAKFFA-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.34
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine

1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine (PubChem CID 163356497) has the molecular formula C15H14ClF2N3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine
PubChem CID163356497
Molecular FormulaC15H14ClF2N3
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)c(F)c1
InChIInChI=1S/C15H14ClF2N3/c16-11-1-4-15(19-10-11)21-7-5-20(6-8-21)14-3-2-12(17)9-13(14)18/h1-4,9-10H,5-8H2
InChIKeyFZSPWCPOGAKFFA-UHFFFAOYSA-N
XLogP3.34
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-difluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 166339714
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
4-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)piperidin-4-ol
CID 163350268
1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
CID 3816055
1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24864479
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122048866
5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
CID 60870212
6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane
CID 172899520
5-chloro-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 172881511
3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 126697855

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine (CID 163356497) is 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine is Fc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)c(F)c1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine?
The InChIKey is FZSPWCPOGAKFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3/c16-11-1-4-15(19-10-11)21-7-5-20(6-8-21)14-3-2-12(17)9-13(14)18/h1-4,9-10H,5-8H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine?
1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine has a molecular weight of 309.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine is sourced from PubChem (CID 163356497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).