2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine

C17H32N2O — CID 64850098

IUPAC2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCC(C)CC1CN(CC2CCOCC2)C(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-13(2)9-16-12-19(11-14-5-7-20-8-6-14)17(10-18-16)15-3-4-15/h13-18H,3-12H2,1-2H3
InChIKeyVGUNMPUDMAAGMU-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.51
Rot. Bonds5

About 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine

2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64850098) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
PubChem CID64850098
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCC(C)CC1CN(CC2CCOCC2)C(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-13(2)9-16-12-19(11-14-5-7-20-8-6-14)17(10-18-16)15-3-4-15/h13-18H,3-12H2,1-2H3
InChIKeyVGUNMPUDMAAGMU-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848743
2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848740
2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 103141376
2-cyclopropyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64849713
2-cyclopropyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838783
2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine
CID 104650225
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
2-cyclopropyl-5-(2-methylpropyl)-1-(2-phenylethyl)piperazine
CID 64849130
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine (CID 64850098) is 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine is CC(C)CC1CN(CC2CCOCC2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is VGUNMPUDMAAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)9-16-12-19(11-14-5-7-20-8-6-14)17(10-18-16)15-3-4-15/h13-18H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 280.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64850098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).