1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine

C14H28N2O — CID 116524415

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
SMILESCCCC1CN(CC2CCC(C)(C)O2)CCN1
InChIInChI=1S/C14H28N2O/c1-4-5-12-10-16(9-8-15-12)11-13-6-7-14(2,3)17-13/h12-13,15H,4-11H2,1-3H3
InChIKeyQOVXWLNVNVUYJT-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine

1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine (PubChem CID 116524415) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
PubChem CID116524415
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
SMILESCCCC1CN(CC2CCC(C)(C)O2)CCN1
InChIInChI=1S/C14H28N2O/c1-4-5-12-10-16(9-8-15-12)11-13-6-7-14(2,3)17-13/h12-13,15H,4-11H2,1-3H3
InChIKeyQOVXWLNVNVUYJT-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524417
1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine
CID 116524455
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 104889620
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
1-(2,2-dimethylpropyl)-3-propylpiperazine
CID 64925908
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076925

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine (CID 116524415) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine is CCCC1CN(CC2CCC(C)(C)O2)CCN1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine?
The InChIKey is QOVXWLNVNVUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-12-10-16(9-8-15-12)11-13-6-7-14(2,3)17-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine?
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 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]-3-propylpiperazine is sourced from PubChem (CID 116524415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).