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

C14H23FN2 — CID 142871687

IUPAC(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
SMILESC=C(F)/C=C\C(=C/C)CN1C[C@@H](C)NC[C@@H]1C
InChIInChI=1S/C14H23FN2/c1-5-14(7-6-11(2)15)10-17-9-12(3)16-8-13(17)4/h5-7,12-13,16H,2,8-10H2,1,3-4H3/b7-6-,14-5+/t12-,13+/m1/s1
InChIKeyKXYZTSQUYNFNMU-UMYOUNPBSA-N
MW238.35 g/mol
LogP2.65
Rot. Bonds4

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

(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine (PubChem CID 142871687) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
PubChem CID142871687
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
SMILESC=C(F)/C=C\C(=C/C)CN1C[C@@H](C)NC[C@@H]1C
InChIInChI=1S/C14H23FN2/c1-5-14(7-6-11(2)15)10-17-9-12(3)16-8-13(17)4/h5-7,12-13,16H,2,8-10H2,1,3-4H3/b7-6-,14-5+/t12-,13+/m1/s1
InChIKeyKXYZTSQUYNFNMU-UMYOUNPBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
The IUPAC name of (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine (CID 142871687) is (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine is C=C(F)/C=C\C(=C/C)CN1C[C@@H](C)NC[C@@H]1C.
What is the InChIKey of (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
The InChIKey is KXYZTSQUYNFNMU-UMYOUNPBSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-14(7-6-11(2)15)10-17-9-12(3)16-8-13(17)4/h5-7,12-13,16H,2,8-10H2,1,3-4H3/b7-6-,14-5+/t12-,13+/m1/s1.
What are the key properties of (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine?
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-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 (2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 142871687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).