6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane

C20H40N4 — CID 176841935

IUPAC6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCC1CN(CN2CC3CC(C2)N3C(C)(C)C)CC(C)N1C(C)(C)C
InChIInChI=1S/C20H40N4/c1-15-10-21(11-16(2)23(15)19(3,4)5)14-22-12-17-9-18(13-22)24(17)20(6,7)8/h15-18H,9-14H2,1-8H3
InChIKeyDRIRNNMGLIEMIQ-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.69
Rot. Bonds2

About 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane

6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 176841935) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
PubChem CID176841935
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCC1CN(CN2CC3CC(C2)N3C(C)(C)C)CC(C)N1C(C)(C)C
InChIInChI=1S/C20H40N4/c1-15-10-21(11-16(2)23(15)19(3,4)5)14-22-12-17-9-18(13-22)24(17)20(6,7)8/h15-18H,9-14H2,1-8H3
InChIKeyDRIRNNMGLIEMIQ-UHFFFAOYSA-N
XLogP2.69
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(2,2-Dimethyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-6-ethyl-3,6-diazabicyclo[3.1.1]heptane
CID 135188562
1-Methyl-4-[2-[4-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine
CID 146439985
5-(4-tert-butylpiperazin-1-yl)-N-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]hexan-2-amine
CID 154964143
1-Ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine
CID 155055089
3-[4-(4-Tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 167053532
3,6-Ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;1,4-ditert-butylpiperazine
CID 167624224
(4-Tert-butylpiperazin-1-yl)-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
CID 168727001
(4-Tert-butylpiperazin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 168727114
2-Tert-butyl-5-(1-tert-butylazetidin-3-yl)-2,5-diazabicyclo[2.2.2]octane
CID 171445129
1-[1-(1-Tert-butylazetidin-3-yl)piperidin-4-yl]-4-(1-tert-butylpiperidin-4-yl)piperazine
CID 172109953
1-Tert-butyl-4-[1-(1-tert-butylpiperidin-3-yl)azetidin-3-yl]piperazine
CID 172110183
1-Tert-butyl-4-[[1-[1-(1-tert-butylazetidin-3-yl)piperidin-4-yl]piperidin-4-yl]methyl]piperazine
CID 172110579

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (CID 176841935) is 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is CC1CN(CN2CC3CC(C2)N3C(C)(C)C)CC(C)N1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is DRIRNNMGLIEMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-15-10-21(11-16(2)23(15)19(3,4)5)14-22-12-17-9-18(13-22)24(17)20(6,7)8/h15-18H,9-14H2,1-8H3.
What are the key properties of 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 336.57 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 176841935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).