1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine

C16H32N2O — CID 103141224

IUPAC1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CC2CCC(C)O2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-5-6-14-10-18(16(9-17-14)12(2)3)11-15-8-7-13(4)19-15/h12-17H,5-11H2,1-4H3
InChIKeyVSDJQYXHHNACQN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds5

About 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine

1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine (PubChem CID 103141224) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
PubChem CID103141224
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CC2CCC(C)O2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-5-6-14-10-18(16(9-17-14)12(2)3)11-15-8-7-13(4)19-15/h12-17H,5-11H2,1-4H3
InChIKeyVSDJQYXHHNACQN-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine (CID 103141224) is 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine is CCCC1CN(CC2CCC(C)O2)C(C(C)C)CN1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine?
The InChIKey is VSDJQYXHHNACQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-6-14-10-18(16(9-17-14)12(2)3)11-15-8-7-13(4)19-15/h12-17H,5-11H2,1-4H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine?
1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine has a molecular weight of 268.44 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 1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 103141224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).