2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine

C17H32N2O — CID 103141376

IUPAC2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CC2CCC(C)O2)C(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-12(2)8-15-10-19(11-16-7-4-13(3)20-16)17(9-18-15)14-5-6-14/h12-18H,4-11H2,1-3H3
InChIKeyKNBUINUQGMUTGP-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.65
Rot. Bonds5

About 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine

2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine (PubChem CID 103141376) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine
PubChem CID103141376
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CC2CCC(C)O2)C(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-12(2)8-15-10-19(11-16-7-4-13(3)20-16)17(9-18-15)14-5-6-14/h12-18H,4-11H2,1-3H3
InChIKeyKNBUINUQGMUTGP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine (CID 103141376) is 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine is CC(C)CC1CN(CC2CCC(C)O2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine?
The InChIKey is KNBUINUQGMUTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(2)8-15-10-19(11-16-7-4-13(3)20-16)17(9-18-15)14-5-6-14/h12-18H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine?
2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine has a molecular weight of 280.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 103141376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).