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

C21H42N2O — CID 153439573

IUPAC1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine
SMILESCC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C
InChIInChI=1S/C21H42N2O/c1-17(14-20(2,3)4)15-22-8-10-23(11-9-22)16-18-12-19(13-18)24-21(5,6)7/h17-19H,8-16H2,1-7H3
InChIKeyRVMFMVOLXOCZBP-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.27
Rot. Bonds6

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

1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine (PubChem CID 153439573) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine.

Molecular Properties

Compound Name1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine
PubChem CID153439573
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine
SMILESCC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C
InChIInChI=1S/C21H42N2O/c1-17(14-20(2,3)4)15-22-8-10-23(11-9-22)16-18-12-19(13-18)24-21(5,6)7/h17-19H,8-16H2,1-7H3
InChIKeyRVMFMVOLXOCZBP-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine?
The IUPAC name of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine (CID 153439573) is 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine.
What is the SMILES notation for 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine?
The canonical SMILES for 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine is CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C.
What is the InChIKey of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine?
The InChIKey is RVMFMVOLXOCZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-17(14-20(2,3)4)15-22-8-10-23(11-9-22)16-18-12-19(13-18)24-21(5,6)7/h17-19H,8-16H2,1-7H3.
What are the key properties of 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine?
1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine has a molecular weight of 338.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine is sourced from PubChem (CID 153439573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).