1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium

C20H32FN2+ — CID 6938604

IUPAC1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium
SMILESCC(C)(C)C1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H31FN2/c1-20(2,3)16-4-8-18(9-5-16)22-12-14-23(15-13-22)19-10-6-17(21)7-11-19/h6-7,10-11,16,18H,4-5,8-9,12-15H2,1-3H3/p+1
InChIKeyNUHMSVAMMHSEDG-UHFFFAOYSA-O
MW319.49 g/mol
LogP3.14
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium

1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium (PubChem CID 6938604) has the molecular formula C20H32FN2+ and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium
PubChem CID6938604
Molecular FormulaC20H32FN2+
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium
SMILESCC(C)(C)C1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H31FN2/c1-20(2,3)16-4-8-18(9-5-16)22-12-14-23(15-13-22)19-10-6-17(21)7-11-19/h6-7,10-11,16,18H,4-5,8-9,12-15H2,1-3H3/p+1
InChIKeyNUHMSVAMMHSEDG-UHFFFAOYSA-O
XLogP3.14
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-fluorophenyl)piperazin-1-ium
CID 6962721
2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60867515
1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine
CID 171069605
4-tert-butyl-1-phenylpiperidine
CID 612454
1-(4-fluorophenyl)-4,6-dimethyl-1,5-diazocane
CID 54973091
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2,2-dimethylpropanoate
CID 42185127
(3S)-1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6960556
2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
CID 61354158
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium (CID 6938604) is 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium is CC(C)(C)C1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium?
The InChIKey is NUHMSVAMMHSEDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H31FN2/c1-20(2,3)16-4-8-18(9-5-16)22-12-14-23(15-13-22)19-10-6-17(21)7-11-19/h6-7,10-11,16,18H,4-5,8-9,12-15H2,1-3H3/p+1.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium?
1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium has a molecular weight of 319.49 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium is sourced from PubChem (CID 6938604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).