(4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone

C14H26N2O2 — CID 113074848

IUPAC(4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)16-8-6-15(7-9-16)13(17)12-4-10-18-11-5-12/h12H,4-11H2,1-3H3
InChIKeyQUCURBLYMKGKQT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.36
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone

(4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone (PubChem CID 113074848) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone
PubChem CID113074848
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)16-8-6-15(7-9-16)13(17)12-4-10-18-11-5-12/h12H,4-11H2,1-3H3
InChIKeyQUCURBLYMKGKQT-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone (CID 113074848) is (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone is CC(C)(C)N1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is QUCURBLYMKGKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)16-8-6-15(7-9-16)13(17)12-4-10-18-11-5-12/h12H,4-11H2,1-3H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 113074848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).