1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine

C20H40N2O — CID 153439596

IUPAC1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine
SMILESCC(C)(C)CCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H40N2O/c1-19(2,3)8-7-9-21-10-12-22(13-11-21)16-17-14-18(15-17)23-20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyYCZVXVOZRWBQNY-UHFFFAOYSA-N
MW324.55 g/mol
LogP4.02
Rot. Bonds6

About 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine

1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine (PubChem CID 153439596) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine
PubChem CID153439596
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine
SMILESCC(C)(C)CCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H40N2O/c1-19(2,3)8-7-9-21-10-12-22(13-11-21)16-17-14-18(15-17)23-20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyYCZVXVOZRWBQNY-UHFFFAOYSA-N
XLogP4.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]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-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine?
The IUPAC name of 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine (CID 153439596) is 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine is CC(C)(C)CCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine?
The InChIKey is YCZVXVOZRWBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-19(2,3)8-7-9-21-10-12-22(13-11-21)16-17-14-18(15-17)23-20(4,5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine?
1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine has a molecular weight of 324.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine is sourced from PubChem (CID 153439596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).