4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine

C24H47N3O — CID 131991575

IUPAC4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine
SMILESCC(C)(CCN1CCN(C2CCC(C(C)(C)C)CC2)CC1)CN1CCOCC1
InChIInChI=1S/C24H47N3O/c1-23(2,3)21-6-8-22(9-7-21)27-14-12-25(13-15-27)11-10-24(4,5)20-26-16-18-28-19-17-26/h21-22H,6-20H2,1-5H3
InChIKeyXISIQWRQKCCFPK-UHFFFAOYSA-N
MW393.66 g/mol
LogP3.96
Rot. Bonds6

About 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine

4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine (PubChem CID 131991575) has the molecular formula C24H47N3O and a molecular weight of 393.66 g/mol. Its IUPAC name is 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine
PubChem CID131991575
Molecular FormulaC24H47N3O
Molecular Weight393.66 g/mol
Exact Mass393.37
IUPAC Name4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine
SMILESCC(C)(CCN1CCN(C2CCC(C(C)(C)C)CC2)CC1)CN1CCOCC1
InChIInChI=1S/C24H47N3O/c1-23(2,3)21-6-8-22(9-7-21)27-14-12-25(13-15-27)11-10-24(4,5)20-26-16-18-28-19-17-26/h21-22H,6-20H2,1-5H3
InChIKeyXISIQWRQKCCFPK-UHFFFAOYSA-N
XLogP3.96
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine?
The IUPAC name of 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine (CID 131991575) is 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine.
What is the SMILES notation for 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine?
The canonical SMILES for 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine is CC(C)(CCN1CCN(C2CCC(C(C)(C)C)CC2)CC1)CN1CCOCC1.
What is the InChIKey of 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine?
The InChIKey is XISIQWRQKCCFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O/c1-23(2,3)21-6-8-22(9-7-21)27-14-12-25(13-15-27)11-10-24(4,5)20-26-16-18-28-19-17-26/h21-22H,6-20H2,1-5H3.
What are the key properties of 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine?
4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine has a molecular weight of 393.66 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-2,2-dimethylbutyl]morpholine is sourced from PubChem (CID 131991575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).