4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline

C17H29N3O — CID 83004687

IUPAC4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCN(C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H29N3O/c1-13(2)21-16-12-14(6-7-15(16)18)19-8-10-20(11-9-19)17(3,4)5/h6-7,12-13H,8-11,18H2,1-5H3
InChIKeyQCRZXHKHGAEGMT-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.98
Rot. Bonds3

About 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline

4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline (PubChem CID 83004687) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline
PubChem CID83004687
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCN(C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H29N3O/c1-13(2)21-16-12-14(6-7-15(16)18)19-8-10-20(11-9-19)17(3,4)5/h6-7,12-13H,8-11,18H2,1-5H3
InChIKeyQCRZXHKHGAEGMT-UHFFFAOYSA-N
XLogP2.98
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline (CID 83004687) is 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCN(C(C)(C)C)CC2)ccc1N.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline?
The InChIKey is QCRZXHKHGAEGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)21-16-12-14(6-7-15(16)18)19-8-10-20(11-9-19)17(3,4)5/h6-7,12-13H,8-11,18H2,1-5H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline?
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline has a molecular weight of 291.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83004687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).