1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine

C16H32N2O — CID 116524455

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(CC2CCC(C)(C)O2)C(CC)CN1
InChIInChI=1S/C16H32N2O/c1-5-7-13-11-18(14(6-2)10-17-13)12-15-8-9-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3
InChIKeyUQRCBGGAKIIOPF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds5

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine

1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine (PubChem CID 116524455) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine
PubChem CID116524455
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(CC2CCC(C)(C)O2)C(CC)CN1
InChIInChI=1S/C16H32N2O/c1-5-7-13-11-18(14(6-2)10-17-13)12-15-8-9-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3
InChIKeyUQRCBGGAKIIOPF-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 116524491
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
CID 116524415
1-(cyclobutylmethyl)-2-ethyl-5-propylpiperazine
CID 64936155
1-(cyclopentylmethyl)-2-ethyl-5-propylpiperazine
CID 64845195
1-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-diethyl-5-methylpiperazine
CID 116524523
2-ethyl-1-(1-methylcyclopentyl)-5-propylpiperazine
CID 64940330
1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine
CID 107897901
2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 107901441
2-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-5-propylpiperazine
CID 64838798
2-ethyl-1-methyl-5-propylpiperazine
CID 64846947
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
2-ethyl-5-propyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83146417

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine (CID 116524455) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine is CCCC1CN(CC2CCC(C)(C)O2)C(CC)CN1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine?
The InChIKey is UQRCBGGAKIIOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-7-13-11-18(14(6-2)10-17-13)12-15-8-9-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine?
1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 116524455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).