CID 54593612

Tert-butyl 4-(piperidin-3-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2CCCNC2
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-5-4-6-15-11-12/h12,15H,4-11H2,1-3H3
InChIKey
PCCCSUUBJZRHGJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-piperidin-3-ylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

269.21033 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.217606 170.1
[M+Na]+ 292.199548 171.6
[M-H]- 268.203054 169.2
[M+NH4]+ 287.244153 181.1
[M+K]+ 308.173488 169.1
[M+H-H2O]+ 252.207590 160.9
[M+HCOO]- 314.208531 178.2
[M+CH3COO]- 328.224181 193.6
[M+Na-2H]- 290.184996 170.5
[M]+ 269.20978142 161.5
[M]- 269.21087858 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe