3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

C19H38N4 — CID 176841896

IUPAC3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CCN(CN2C3CCC2CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C19H38N4/c1-18(2,3)21-11-9-20(10-12-21)15-23-16-7-8-17(23)14-22(13-16)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyFKQLGSFAMXWCGI-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.31
Rot. Bonds2

About 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 176841896) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID176841896
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CCN(CN2C3CCC2CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C19H38N4/c1-18(2,3)21-11-9-20(10-12-21)15-23-16-7-8-17(23)14-22(13-16)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyFKQLGSFAMXWCGI-UHFFFAOYSA-N
XLogP2.31
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841732
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 176841713
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine
CID 172511600
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
1-tert-butyl-4-(fluoromethyl)piperazine
CID 171581155
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine
CID 79467792

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 176841896) is 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is CC(C)(C)N1CCN(CN2C3CCC2CN(C(C)(C)C)C3)CC1.
What is the InChIKey of 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FKQLGSFAMXWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-18(2,3)21-11-9-20(10-12-21)15-23-16-7-8-17(23)14-22(13-16)19(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 322.54 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 176841896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).