1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine

C14H25FN2 — CID 176728558

IUPAC1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine
SMILESCC(C)(C)N1CCN(C2=CCC(F)CC2)CC1
InChIInChI=1S/C14H25FN2/c1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13/h6,12H,4-5,7-11H2,1-3H3
InChIKeyBJLIAUSPSPITRR-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.81
Rot. Bonds1

About 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine

1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine (PubChem CID 176728558) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine
PubChem CID176728558
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine
SMILESCC(C)(C)N1CCN(C2=CCC(F)CC2)CC1
InChIInChI=1S/C14H25FN2/c1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13/h6,12H,4-5,7-11H2,1-3H3
InChIKeyBJLIAUSPSPITRR-UHFFFAOYSA-N
XLogP2.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 123867464
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
CID 144662376
(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 144662385
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethylpiperazine
CID 144662412
1-(6-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 163511248
1-(4,6-Difluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 164030933
1-(1-Cyclohexen-1-yl)-4-methylpiperazine
CID 15363494
1,4-Di(cyclohexen-1-yl)piperazine
CID 12514864
1-(Cyclopenten-1-yl)-4-methylpiperazine
CID 15363491
1,4-Bis(3-methylcyclohexen-1-yl)piperazine
CID 21547890
1,4-Di(cyclohexen-1-yl)-2,5-diethylpiperazine
CID 21547894

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine?
The IUPAC name of 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine (CID 176728558) is 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine is CC(C)(C)N1CCN(C2=CCC(F)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine?
The InChIKey is BJLIAUSPSPITRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2/c1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13/h6,12H,4-5,7-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine?
1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine has a molecular weight of 240.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-fluorocyclohexen-1-yl)piperazine is sourced from PubChem (CID 176728558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).