4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine

C22H47N3O — CID 134582275

IUPAC4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine
SMILESCC(CC(C)OC(C)(C)C)NC(C)CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C22H47N3O/c1-17(23-18(2)16-20(4)26-22(8,9)10)15-19(3)24-11-13-25(14-12-24)21(5,6)7/h17-20,23H,11-16H2,1-10H3
InChIKeyJFAJVRSKUSHBSP-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.14
Rot. Bonds8

About 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine

4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine (PubChem CID 134582275) has the molecular formula C22H47N3O and a molecular weight of 369.64 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine
PubChem CID134582275
Molecular FormulaC22H47N3O
Molecular Weight369.64 g/mol
Exact Mass369.37
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine
SMILESCC(CC(C)OC(C)(C)C)NC(C)CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C22H47N3O/c1-17(23-18(2)16-20(4)26-22(8,9)10)15-19(3)24-11-13-25(14-12-24)21(5,6)7/h17-20,23H,11-16H2,1-10H3
InChIKeyJFAJVRSKUSHBSP-UHFFFAOYSA-N
XLogP4.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine (CID 134582275) is 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine is CC(CC(C)OC(C)(C)C)NC(C)CC(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine?
The InChIKey is JFAJVRSKUSHBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O/c1-17(23-18(2)16-20(4)26-22(8,9)10)15-19(3)24-11-13-25(14-12-24)21(5,6)7/h17-20,23H,11-16H2,1-10H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine?
4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine has a molecular weight of 369.64 g/mol, XLogP of 4.14, 8 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)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine is sourced from PubChem (CID 134582275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).