6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

C17H33N3O — CID 139492037

IUPAC6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(CCN1CCN(C(C)(C)C)CC1)N1CC2(COC2)C1
InChIInChI=1S/C17H33N3O/c1-15(19-11-17(12-19)13-21-14-17)5-6-18-7-9-20(10-8-18)16(2,3)4/h15H,5-14H2,1-4H3
InChIKeyBMZPNOXUSJBJRH-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.51
Rot. Bonds4

About 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 139492037) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID139492037
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(CCN1CCN(C(C)(C)C)CC1)N1CC2(COC2)C1
InChIInChI=1S/C17H33N3O/c1-15(19-11-17(12-19)13-21-14-17)5-6-18-7-9-20(10-8-18)16(2,3)4/h15H,5-14H2,1-4H3
InChIKeyBMZPNOXUSJBJRH-UHFFFAOYSA-N
XLogP1.51
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 139492037) is 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is CC(CCN1CCN(C(C)(C)C)CC1)N1CC2(COC2)C1.
What is the InChIKey of 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is BMZPNOXUSJBJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(19-11-17(12-19)13-21-14-17)5-6-18-7-9-20(10-8-18)16(2,3)4/h15H,5-14H2,1-4H3.
What are the key properties of 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 295.47 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 139492037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).