1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine

C21H42N2O2 — CID 167181274

IUPAC1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
SMILESCC(CC(C)N1CCN(C(C)(C)C)CC1)OC1CC(OC(C)(C)C)C1
InChIInChI=1S/C21H42N2O2/c1-16(22-9-11-23(12-10-22)20(3,4)5)13-17(2)24-18-14-19(15-18)25-21(6,7)8/h16-19H,9-15H2,1-8H3
InChIKeyXFCYZFAOMUVJBE-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.93
Rot. Bonds6

About 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine

1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine (PubChem CID 167181274) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
PubChem CID167181274
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
SMILESCC(CC(C)N1CCN(C(C)(C)C)CC1)OC1CC(OC(C)(C)C)C1
InChIInChI=1S/C21H42N2O2/c1-16(22-9-11-23(12-10-22)20(3,4)5)13-17(2)24-18-14-19(15-18)25-21(6,7)8/h16-19H,9-15H2,1-8H3
InChIKeyXFCYZFAOMUVJBE-UHFFFAOYSA-N
XLogP3.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine (CID 167181274) is 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine is CC(CC(C)N1CCN(C(C)(C)C)CC1)OC1CC(OC(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
The InChIKey is XFCYZFAOMUVJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-16(22-9-11-23(12-10-22)20(3,4)5)13-17(2)24-18-14-19(15-18)25-21(6,7)8/h16-19H,9-15H2,1-8H3.
What are the key properties of 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine has a molecular weight of 354.58 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine is sourced from PubChem (CID 167181274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).