6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine

C23H30F2N4 — CID 71019325

IUPAC6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine
SMILESNC1=CC(N)CC=C1N1CCN(C(C2=CC=C(F)CC2)C2C=CC(F)=CC2)CC1
InChIInChI=1S/C23H30F2N4/c24-18-5-1-16(2-6-18)23(17-3-7-19(25)8-4-17)29-13-11-28(12-14-29)22-10-9-20(26)15-21(22)27/h1,3,5-7,10,15-16,20,23H,2,4,8-9,11-14,26-27H2
InChIKeyQPQIMNXCCQVFHH-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.43
Rot. Bonds4

About 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine

6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine (PubChem CID 71019325) has the molecular formula C23H30F2N4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine
PubChem CID71019325
Molecular FormulaC23H30F2N4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine
SMILESNC1=CC(N)CC=C1N1CCN(C(C2=CC=C(F)CC2)C2C=CC(F)=CC2)CC1
InChIInChI=1S/C23H30F2N4/c24-18-5-1-16(2-6-18)23(17-3-7-19(25)8-4-17)29-13-11-28(12-14-29)22-10-9-20(26)15-21(22)27/h1,3,5-7,10,15-16,20,23H,2,4,8-9,11-14,26-27H2
InChIKeyQPQIMNXCCQVFHH-UHFFFAOYSA-N
XLogP3.43
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine (CID 71019325) is 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine is NC1=CC(N)CC=C1N1CCN(C(C2=CC=C(F)CC2)C2C=CC(F)=CC2)CC1.
What is the InChIKey of 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
The InChIKey is QPQIMNXCCQVFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4/c24-18-5-1-16(2-6-18)23(17-3-7-19(25)8-4-17)29-13-11-28(12-14-29)22-10-9-20(26)15-21(22)27/h1,3,5-7,10,15-16,20,23H,2,4,8-9,11-14,26-27H2.
What are the key properties of 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine has a molecular weight of 400.52 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazin-1-yl]cyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 71019325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).