4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine

C16H18ClFN4 — CID 11267189

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(N2CCN(c3ccc(Cl)cc3)CC2)cc1N
InChIInChI=1S/C16H18ClFN4/c17-11-1-3-12(4-2-11)21-5-7-22(8-6-21)16-10-15(20)14(19)9-13(16)18/h1-4,9-10H,5-8,19-20H2
InChIKeyVUAPJFCNCPQKJY-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.97
Rot. Bonds2

About 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine

4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine (PubChem CID 11267189) has the molecular formula C16H18ClFN4 and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine
PubChem CID11267189
Molecular FormulaC16H18ClFN4
Molecular Weight320.80 g/mol
Exact Mass320.12
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(N2CCN(c3ccc(Cl)cc3)CC2)cc1N
InChIInChI=1S/C16H18ClFN4/c17-11-1-3-12(4-2-11)21-5-7-22(8-6-21)16-10-15(20)14(19)9-13(16)18/h1-4,9-10H,5-8,19-20H2
InChIKeyVUAPJFCNCPQKJY-UHFFFAOYSA-N
XLogP2.97
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzene-1,2-diamine
CID 11461237
3-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylaniline
CID 62589406
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylaniline
CID 43436332
5-amino-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784713
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280
3-(azetidin-1-yl)-4-fluoroaniline
CID 131275166
5-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784714
6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161657
6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 115473660
2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 43318153
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
CID 159231607

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine (CID 11267189) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine is Nc1cc(F)c(N2CCN(c3ccc(Cl)cc3)CC2)cc1N.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine?
The InChIKey is VUAPJFCNCPQKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4/c17-11-1-3-12(4-2-11)21-5-7-22(8-6-21)16-10-15(20)14(19)9-13(16)18/h1-4,9-10H,5-8,19-20H2.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine?
4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine has a molecular weight of 320.80 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 11267189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).