1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

C24H39FN2 — CID 23141562

IUPAC1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCC1(C)CC(c2ccccc2N2CCN(CCCCF)CC2)CC(C)(C)C1
InChIInChI=1S/C24H39FN2/c1-23(2)17-20(18-24(3,4)19-23)21-9-5-6-10-22(21)27-15-13-26(14-16-27)12-8-7-11-25/h5-6,9-10,20H,7-8,11-19H2,1-4H3
InChIKeyBJWUHAGJGPDNCT-UHFFFAOYSA-N
MW374.59 g/mol
LogP5.88
Rot. Bonds6

About 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (PubChem CID 23141562) has the molecular formula C24H39FN2 and a molecular weight of 374.59 g/mol. Its IUPAC name is 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
PubChem CID23141562
Molecular FormulaC24H39FN2
Molecular Weight374.59 g/mol
Exact Mass374.31
IUPAC Name1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCC1(C)CC(c2ccccc2N2CCN(CCCCF)CC2)CC(C)(C)C1
InChIInChI=1S/C24H39FN2/c1-23(2)17-20(18-24(3,4)19-23)21-9-5-6-10-22(21)27-15-13-26(14-16-27)12-8-7-11-25/h5-6,9-10,20H,7-8,11-19H2,1-4H3
InChIKeyBJWUHAGJGPDNCT-UHFFFAOYSA-N
XLogP5.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The IUPAC name of 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (CID 23141562) is 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.
What is the SMILES notation for 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The canonical SMILES for 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is CC1(C)CC(c2ccccc2N2CCN(CCCCF)CC2)CC(C)(C)C1.
What is the InChIKey of 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The InChIKey is BJWUHAGJGPDNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN2/c1-23(2)17-20(18-24(3,4)19-23)21-9-5-6-10-22(21)27-15-13-26(14-16-27)12-8-7-11-25/h5-6,9-10,20H,7-8,11-19H2,1-4H3.
What are the key properties of 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine has a molecular weight of 374.59 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is sourced from PubChem (CID 23141562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).