tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate

C19H37N3O2 — CID 67329073

IUPACtert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCN1C(C)(C)CC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C
InChIInChI=1S/C19H37N3O2/c1-17(2,3)24-16(23)22-11-9-21(10-12-22)15-13-18(4,5)20(8)19(6,7)14-15/h15H,9-14H2,1-8H3
InChIKeyJQWIYKDFMJYCGU-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.19
Rot. Bonds1

About tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 67329073) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate
PubChem CID67329073
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Nametert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCN1C(C)(C)CC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C
InChIInChI=1S/C19H37N3O2/c1-17(2,3)24-16(23)22-11-9-21(10-12-22)15-13-18(4,5)20(8)19(6,7)14-15/h15H,9-14H2,1-8H3
InChIKeyJQWIYKDFMJYCGU-UHFFFAOYSA-N
XLogP3.19
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate
CID 44313554
tert-Butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 18630813
tert-butyl 4-[2-[(3S)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 99792255
Tert-butyl 3-[[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 119032842
Tert-butyl 3-(1-propanoylpiperidin-2-yl)piperidine-1-carboxylate
CID 121582446
1,1-Dimethylethyl 4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinecarboxylate
CID 59452688
Tert-butyl 4-[1-(1-fluoro-2-methylpropan-2-yl)oxycarbonylpiperidin-4-yl]piperazine-1-carboxylate
CID 140154037
Tert-butyl 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpiperidine-1-carboxylate
CID 156179244
Tert-butyl 4-[3-amino-3-(fluoromethyl)piperidin-1-yl]piperidine-1-carboxylate
CID 115053513
Tert-butyl 4-(1-propan-2-ylpiperidin-3-yl)piperazine-1-carboxylate
CID 71875764
1-(1,1-Dimethylethoxycarbonyl)-4-(1-cyclohexyl-4-piperidinyl)piperazine
CID 18321084
1'-tert-Butoxycarbonyl-2'-methyl-[1,4']-Bipiperidine
CID 18457671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate (CID 67329073) is tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate is CN1C(C)(C)CC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C.
What is the InChIKey of tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate?
The InChIKey is JQWIYKDFMJYCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-17(2,3)24-16(23)22-11-9-21(10-12-22)15-13-18(4,5)20(8)19(6,7)14-15/h15H,9-14H2,1-8H3.
What are the key properties of tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate has a molecular weight of 339.52 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 67329073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).