4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine

C20H41N3 — CID 176629920

IUPAC4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
SMILESCC1CN(C(C)(C)C)CC(C)N1CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H41N3/c1-16-13-22(20(6,7)8)14-17(2)23(16)15-18-9-11-21(12-10-18)19(3,4)5/h16-18H,9-15H2,1-8H3
InChIKeyHWUYRAWKMQCMLV-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.69
Rot. Bonds2

About 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine

4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine (PubChem CID 176629920) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
PubChem CID176629920
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
SMILESCC1CN(C(C)(C)C)CC(C)N1CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H41N3/c1-16-13-22(20(6,7)8)14-17(2)23(16)15-18-9-11-21(12-10-18)19(3,4)5/h16-18H,9-15H2,1-8H3
InChIKeyHWUYRAWKMQCMLV-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
The IUPAC name of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine (CID 176629920) is 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
The canonical SMILES for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine is CC1CN(C(C)(C)C)CC(C)N1CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
The InChIKey is HWUYRAWKMQCMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-16-13-22(20(6,7)8)14-17(2)23(16)15-18-9-11-21(12-10-18)19(3,4)5/h16-18H,9-15H2,1-8H3.
What are the key properties of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine has a molecular weight of 323.57 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine is sourced from PubChem (CID 176629920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).