(2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine

C14H23FN2 — CID 142239786

IUPAC(2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
SMILESC=C/C(F)=C\C(=C/C)CN1CC(C)NC[C@H]1C
InChIInChI=1S/C14H23FN2/c1-5-13(7-14(15)6-2)10-17-9-11(3)16-8-12(17)4/h5-7,11-12,16H,2,8-10H2,1,3-4H3/b13-5+,14-7+/t11?,12-/m1/s1
InChIKeyGOFUBDKGMYKHOH-XGXOJVFVSA-N
MW238.35 g/mol
LogP2.65
Rot. Bonds4

About (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine

(2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine (PubChem CID 142239786) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
PubChem CID142239786
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name(2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
SMILESC=C/C(F)=C\C(=C/C)CN1CC(C)NC[C@H]1C
InChIInChI=1S/C14H23FN2/c1-5-13(7-14(15)6-2)10-17-9-11(3)16-8-12(17)4/h5-7,11-12,16H,2,8-10H2,1,3-4H3/b13-5+,14-7+/t11?,12-/m1/s1
InChIKeyGOFUBDKGMYKHOH-XGXOJVFVSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-[1-Methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 70148604
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
The IUPAC name of (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine (CID 142239786) is (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine is C=C/C(F)=C\C(=C/C)CN1CC(C)NC[C@H]1C.
What is the InChIKey of (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
The InChIKey is GOFUBDKGMYKHOH-XGXOJVFVSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-13(7-14(15)6-2)10-17-9-11(3)16-8-12(17)4/h5-7,11-12,16H,2,8-10H2,1,3-4H3/b13-5+,14-7+/t11?,12-/m1/s1.
What are the key properties of (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
(2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine has a molecular weight of 238.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 142239786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).