3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline

C16H17ClFN3 — CID 60877080

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline
SMILESNc1cc(F)cc(N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C16H17ClFN3/c17-15-3-1-2-4-16(15)21-7-5-20(6-8-21)14-10-12(18)9-13(19)11-14/h1-4,9-11H,5-8,19H2
InChIKeyGGSAXZNOWWKONK-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.39
Rot. Bonds2

About 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline

3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline (PubChem CID 60877080) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline
PubChem CID60877080
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline
SMILESNc1cc(F)cc(N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C16H17ClFN3/c17-15-3-1-2-4-16(15)21-7-5-20(6-8-21)14-10-12(18)9-13(19)11-14/h1-4,9-11H,5-8,19H2
InChIKeyGGSAXZNOWWKONK-UHFFFAOYSA-N
XLogP3.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline
CID 107335472
3-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 60874969
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
CID 62262521
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine
CID 11267189
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
CID 11473477
2-[4-(2-chlorophenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-amine
CID 43752689
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 155529844
1-(3,5-difluorophenyl)piperidine
CID 55251038

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline (CID 60877080) is 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline is Nc1cc(F)cc(N2CCN(c3ccccc3Cl)CC2)c1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline?
The InChIKey is GGSAXZNOWWKONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c17-15-3-1-2-4-16(15)21-7-5-20(6-8-21)14-10-12(18)9-13(19)11-14/h1-4,9-11H,5-8,19H2.
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline?
3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline has a molecular weight of 305.78 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline is sourced from PubChem (CID 60877080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).