1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine

C24H43FN2 — CID 143071683

IUPAC1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine
SMILESC/C=C\C(=C(/C)N1CCN(CCCCF)CC1)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C24H43FN2/c1-7-10-22(21-17-23(3,4)19-24(5,6)18-21)20(2)27-15-13-26(14-16-27)12-9-8-11-25/h7,10,21H,8-9,11-19H2,1-6H3/b10-7-,22-20-
InChIKeyVYPFTYNJXFXJGL-UFECBATCSA-N
MW378.62 g/mol
LogP6.06
Rot. Bonds7

About 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine

1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine (PubChem CID 143071683) has the molecular formula C24H43FN2 and a molecular weight of 378.62 g/mol. Its IUPAC name is 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine
PubChem CID143071683
Molecular FormulaC24H43FN2
Molecular Weight378.62 g/mol
Exact Mass378.34
IUPAC Name1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine
SMILESC/C=C\C(=C(/C)N1CCN(CCCCF)CC1)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C24H43FN2/c1-7-10-22(21-17-23(3,4)19-24(5,6)18-21)20(2)27-15-13-26(14-16-27)12-9-8-11-25/h7,10,21H,8-9,11-19H2,1-6H3/b10-7-,22-20-
InChIKeyVYPFTYNJXFXJGL-UFECBATCSA-N
XLogP6.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine?
The IUPAC name of 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine (CID 143071683) is 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine.
What is the SMILES notation for 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine?
The canonical SMILES for 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine is C/C=C\C(=C(/C)N1CCN(CCCCF)CC1)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine?
The InChIKey is VYPFTYNJXFXJGL-UFECBATCSA-N. The full InChI is InChI=1S/C24H43FN2/c1-7-10-22(21-17-23(3,4)19-24(5,6)18-21)20(2)27-15-13-26(14-16-27)12-9-8-11-25/h7,10,21H,8-9,11-19H2,1-6H3/b10-7-,22-20-.
What are the key properties of 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine?
1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine has a molecular weight of 378.62 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)-4-[(2E,4Z)-3-(3,3,5,5-tetramethylcyclohexyl)hexa-2,4-dien-2-yl]piperazine is sourced from PubChem (CID 143071683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).