1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine

C16H18FN3 — CID 120910880

IUPAC1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
SMILESFc1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C16H18FN3/c17-15-3-1-2-13(10-15)12-20-9-8-19-11-16(20)14-4-6-18-7-5-14/h1-7,10,16,19H,8-9,11-12H2
InChIKeyAOUQCTLLFZUCCZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.37
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine

1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910880) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910880
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
SMILESFc1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C16H18FN3/c17-15-3-1-2-13(10-15)12-20-9-8-19-11-16(20)14-4-6-18-7-5-14/h1-7,10,16,19H,8-9,11-12H2
InChIKeyAOUQCTLLFZUCCZ-UHFFFAOYSA-N
XLogP2.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine 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

2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910845
1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910428
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910574
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine (CID 120910880) is 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine is Fc1cccc(CN2CCNCC2c2ccncc2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is AOUQCTLLFZUCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-15-3-1-2-13(10-15)12-20-9-8-19-11-16(20)14-4-6-18-7-5-14/h1-7,10,16,19H,8-9,11-12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine?
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 271.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).