4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine

C18H37N3 — CID 71055637

IUPAC4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
SMILESCN1C(C)(C)CN(C2CCN(C(C)(C)C)CC2)CC1(C)C
InChIInChI=1S/C18H37N3/c1-16(2,3)21-11-9-15(10-12-21)20-13-17(4,5)19(8)18(6,7)14-20/h15H,9-14H2,1-8H3
InChIKeyYKLAHJQWRAYHEJ-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.05
Rot. Bonds1

About 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine

4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine (PubChem CID 71055637) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
PubChem CID71055637
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
SMILESCN1C(C)(C)CN(C2CCN(C(C)(C)C)CC2)CC1(C)C
InChIInChI=1S/C18H37N3/c1-16(2,3)21-11-9-15(10-12-21)20-13-17(4,5)19(8)18(6,7)14-20/h15H,9-14H2,1-8H3
InChIKeyYKLAHJQWRAYHEJ-UHFFFAOYSA-N
XLogP3.05
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine (CID 71055637) is 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine is CN1C(C)(C)CN(C2CCN(C(C)(C)C)CC2)CC1(C)C.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
The InChIKey is YKLAHJQWRAYHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2,3)21-11-9-15(10-12-21)20-13-17(4,5)19(8)18(6,7)14-20/h15H,9-14H2,1-8H3.
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine has a molecular weight of 295.51 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine is sourced from PubChem (CID 71055637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).