1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

C17H19F2N3 — CID 75470128

IUPAC1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESFc1cccc(CN2CCN(Cc3ccncc3)CC2)c1F
InChIInChI=1S/C17H19F2N3/c18-16-3-1-2-15(17(16)19)13-22-10-8-21(9-11-22)12-14-4-6-20-7-5-14/h1-7H,8-13H2
InChIKeyKFJZECMFMULTKL-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.68
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 75470128) has the molecular formula C17H19F2N3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
PubChem CID75470128
Molecular FormulaC17H19F2N3
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESFc1cccc(CN2CCN(Cc3ccncc3)CC2)c1F
InChIInChI=1S/C17H19F2N3/c18-16-3-1-2-15(17(16)19)13-22-10-8-21(9-11-22)12-14-4-6-20-7-5-14/h1-7H,8-13H2
InChIKeyKFJZECMFMULTKL-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 47023387
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine (CID 75470128) is 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine is Fc1cccc(CN2CCN(Cc3ccncc3)CC2)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is KFJZECMFMULTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3/c18-16-3-1-2-15(17(16)19)13-22-10-8-21(9-11-22)12-14-4-6-20-7-5-14/h1-7H,8-13H2.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 303.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 75470128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).