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

C19H37N3 — CID 176841720

IUPAC6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)(C)C1CCN(CN2CC3CC(C2)N3C(C)(C)C)CC1
InChIInChI=1S/C19H37N3/c1-18(2,3)15-7-9-20(10-8-15)14-21-12-16-11-17(13-21)22(16)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyUTZCRGPYBXBVGC-UHFFFAOYSA-N
MW307.53 g/mol
LogP3.26
Rot. Bonds2

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

6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 176841720) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
PubChem CID176841720
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)(C)C1CCN(CN2CC3CC(C2)N3C(C)(C)C)CC1
InChIInChI=1S/C19H37N3/c1-18(2,3)15-7-9-20(10-8-15)14-21-12-16-11-17(13-21)22(16)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyUTZCRGPYBXBVGC-UHFFFAOYSA-N
XLogP3.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-tert-butyl-3-[(6-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841524
6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 176841935
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
(1S,5R)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615808
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 176841713
6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 176841382
8-tert-butyl-3-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176842005
(4-tert-butylpiperidin-1-yl)methylphosphane
CID 131973586
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
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
1-(4-tert-butylpiperidin-1-yl)pentan-2-ol
CID 62090229
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (CID 176841720) is 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is CC(C)(C)C1CCN(CN2CC3CC(C2)N3C(C)(C)C)CC1.
What is the InChIKey of 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is UTZCRGPYBXBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-18(2,3)15-7-9-20(10-8-15)14-21-12-16-11-17(13-21)22(16)19(4,5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 307.53 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 176841720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).