4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine

C18H37N3 — CID 176629966

IUPAC4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
SMILESCC1CN(C(C)(C)C)CCN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H37N3/c1-15-14-20(18(5,6)7)12-13-21(15)16-8-10-19(11-9-16)17(2,3)4/h15-16H,8-14H2,1-7H3
InChIKeyIXACAXMXXBFHFH-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.05
Rot. Bonds1

About 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine

4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine (PubChem CID 176629966) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
PubChem CID176629966
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
SMILESCC1CN(C(C)(C)C)CCN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H37N3/c1-15-14-20(18(5,6)7)12-13-21(15)16-8-10-19(11-9-16)17(2,3)4/h15-16H,8-14H2,1-7H3
InChIKeyIXACAXMXXBFHFH-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-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine?
The IUPAC name of 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine (CID 176629966) is 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine?
The canonical SMILES for 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine is CC1CN(C(C)(C)C)CCN1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine?
The InChIKey is IXACAXMXXBFHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15-14-20(18(5,6)7)12-13-21(15)16-8-10-19(11-9-16)17(2,3)4/h15-16H,8-14H2,1-7H3.
What are the key properties of 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine?
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine 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-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine is sourced from PubChem (CID 176629966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).