3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine

C12H18F2N2 — CID 163520633

IUPAC3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
SMILESFCCN1CCNC(C2=CC=C(F)CC2)C1
InChIInChI=1S/C12H18F2N2/c13-5-7-16-8-6-15-12(9-16)10-1-3-11(14)4-2-10/h1,3,12,15H,2,4-9H2
InChIKeyDKMUZQLCOKZKMG-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.80
Rot. Bonds3

About 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine

3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine (PubChem CID 163520633) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
PubChem CID163520633
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
SMILESFCCN1CCNC(C2=CC=C(F)CC2)C1
InChIInChI=1S/C12H18F2N2/c13-5-7-16-8-6-15-12(9-16)10-1-3-11(14)4-2-10/h1,3,12,15H,2,4-9H2
InChIKeyDKMUZQLCOKZKMG-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 70281446
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 71019352
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
CID 118312470
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
CID 123373633
2-(2,5-Difluorohexa-2,4-dien-3-yl)piperidine
CID 123481461
1-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine?
The IUPAC name of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine (CID 163520633) is 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine.
What is the SMILES notation for 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine?
The canonical SMILES for 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine is FCCN1CCNC(C2=CC=C(F)CC2)C1.
What is the InChIKey of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine?
The InChIKey is DKMUZQLCOKZKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c13-5-7-16-8-6-15-12(9-16)10-1-3-11(14)4-2-10/h1,3,12,15H,2,4-9H2.
What are the key properties of 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine?
3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine has a molecular weight of 228.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine is sourced from PubChem (CID 163520633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).