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

C13H26N2O — CID 116524419

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(CC2CCC(C)(C)O2)CCN1
InChIInChI=1S/C13H26N2O/c1-12(2)10-15(8-7-14-12)9-11-5-6-13(3,4)16-11/h11,14H,5-10H2,1-4H3
InChIKeyPUELXKKKWMFGFH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds2

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

1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine (PubChem CID 116524419) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
PubChem CID116524419
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(CC2CCC(C)(C)O2)CCN1
InChIInChI=1S/C13H26N2O/c1-12(2)10-15(8-7-14-12)9-11-5-6-13(3,4)16-11/h11,14H,5-10H2,1-4H3
InChIKeyPUELXKKKWMFGFH-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901662
10-[(5,5-dimethyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 116524582
3,3-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64834436
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 104889632
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524417
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
CID 116524415
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
3,3-dimethyl-1-[(2-methylcyclopentyl)methyl]piperazine
CID 107420912

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine (CID 116524419) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine is CC1(C)CN(CC2CCC(C)(C)O2)CCN1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine?
The InChIKey is PUELXKKKWMFGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)10-15(8-7-14-12)9-11-5-6-13(3,4)16-11/h11,14H,5-10H2,1-4H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine?
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 2 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]-3,3-dimethylpiperazine is sourced from PubChem (CID 116524419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).