1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine

C23H46N4 — CID 176841742

IUPAC1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
SMILES[2H]C1([2H])N(CC2CCN(C3CCN(C(C)(C)C)CC3)CC2)C([2H])([2H])C([2H])([2H])N(C(C)(C)C)C1([2H])[2H]
InChIInChI=1S/C23H46N4/c1-22(2,3)26-13-9-21(10-14-26)25-11-7-20(8-12-25)19-24-15-17-27(18-16-24)23(4,5)6/h20-21H,7-19H2,1-6H3/i15D2,16D2,17D2,18D2
InChIKeyBNMVZBSRRDYOTK-BVUACPEDSA-N
MW386.70 g/mol
LogP3.38
Rot. Bonds3

About 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine

1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine (PubChem CID 176841742) has the molecular formula C23H46N4 and a molecular weight of 386.70 g/mol. Its IUPAC name is 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
PubChem CID176841742
Molecular FormulaC23H46N4
Molecular Weight386.70 g/mol
Exact Mass386.42
IUPAC Name1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
SMILES[2H]C1([2H])N(CC2CCN(C3CCN(C(C)(C)C)CC3)CC2)C([2H])([2H])C([2H])([2H])N(C(C)(C)C)C1([2H])[2H]
InChIInChI=1S/C23H46N4/c1-22(2,3)26-13-9-21(10-14-26)25-11-7-20(8-12-25)19-24-15-17-27(18-16-24)23(4,5)6/h20-21H,7-19H2,1-6H3/i15D2,16D2,17D2,18D2
InChIKeyBNMVZBSRRDYOTK-BVUACPEDSA-N
XLogP3.38
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
(1S,4S)-2-tert-butyl-5-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841867
1-tert-butyl-4-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 177072543
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
CID 171576643
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 172546515
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
The IUPAC name of 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine (CID 176841742) is 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine.
What is the SMILES notation for 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
The canonical SMILES for 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine is [2H]C1([2H])N(CC2CCN(C3CCN(C(C)(C)C)CC3)CC2)C([2H])([2H])C([2H])([2H])N(C(C)(C)C)C1([2H])[2H].
What is the InChIKey of 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
The InChIKey is BNMVZBSRRDYOTK-BVUACPEDSA-N. The full InChI is InChI=1S/C23H46N4/c1-22(2,3)26-13-9-21(10-14-26)25-11-7-20(8-12-25)19-24-15-17-27(18-16-24)23(4,5)6/h20-21H,7-19H2,1-6H3/i15D2,16D2,17D2,18D2.
What are the key properties of 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine has a molecular weight of 386.70 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine is sourced from PubChem (CID 176841742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).