1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine

C12H19FN2 — CID 175756672

IUPAC1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine
SMILESFCCN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H19FN2/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h2,4-5H,1,3,6-11H2
InChIKeyGRMVDQMEGVBMJK-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.81
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine

1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine (PubChem CID 175756672) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine
PubChem CID175756672
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine
SMILESFCCN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H19FN2/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h2,4-5H,1,3,6-11H2
InChIKeyGRMVDQMEGVBMJK-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine (CID 175756672) is 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine is FCCN1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine?
The InChIKey is GRMVDQMEGVBMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h2,4-5H,1,3,6-11H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine?
1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine has a molecular weight of 210.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine is sourced from PubChem (CID 175756672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).