1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine

C24H39FN2 — CID 23141560

IUPAC1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine
SMILESCCCCN1CCN(c2ccc(F)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H39FN2/c1-5-6-13-26-14-16-27(17-15-26)23-12-11-21(25)18-22(23)19-7-9-20(10-8-19)24(2,3)4/h11-12,18-20H,5-10,13-17H2,1-4H3
InChIKeyURGAZVRMIMSDQA-UHFFFAOYSA-N
MW374.59 g/mol
LogP6.07
Rot. Bonds5

About 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine

1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine (PubChem CID 23141560) has the molecular formula C24H39FN2 and a molecular weight of 374.59 g/mol. Its IUPAC name is 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine
PubChem CID23141560
Molecular FormulaC24H39FN2
Molecular Weight374.59 g/mol
Exact Mass374.31
IUPAC Name1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine
SMILESCCCCN1CCN(c2ccc(F)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H39FN2/c1-5-6-13-26-14-16-27(17-15-26)23-12-11-21(25)18-22(23)19-7-9-20(10-8-19)24(2,3)4/h11-12,18-20H,5-10,13-17H2,1-4H3
InChIKeyURGAZVRMIMSDQA-UHFFFAOYSA-N
XLogP6.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine?
The IUPAC name of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine (CID 23141560) is 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine.
What is the SMILES notation for 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine?
The canonical SMILES for 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine is CCCCN1CCN(c2ccc(F)cc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine?
The InChIKey is URGAZVRMIMSDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN2/c1-5-6-13-26-14-16-27(17-15-26)23-12-11-21(25)18-22(23)19-7-9-20(10-8-19)24(2,3)4/h11-12,18-20H,5-10,13-17H2,1-4H3.
What are the key properties of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine?
1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine has a molecular weight of 374.59 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-fluorophenyl]piperazine is sourced from PubChem (CID 23141560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).