1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine

C10H20N2O2 — CID 22732239

IUPAC1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine
SMILESCC1(C)OCC(CN2CCNCC2)O1
InChIInChI=1S/C10H20N2O2/c1-10(2)13-8-9(14-10)7-12-5-3-11-4-6-12/h9,11H,3-8H2,1-2H3
InChIKeyCUTBQYOJWOSAHD-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.04
Rot. Bonds2

About 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine (PubChem CID 22732239) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine
PubChem CID22732239
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine
SMILESCC1(C)OCC(CN2CCNCC2)O1
InChIInChI=1S/C10H20N2O2/c1-10(2)13-8-9(14-10)7-12-5-3-11-4-6-12/h9,11H,3-8H2,1-2H3
InChIKeyCUTBQYOJWOSAHD-UHFFFAOYSA-N
XLogP0.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine (CID 22732239) is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine is CC1(C)OCC(CN2CCNCC2)O1.
What is the InChIKey of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine?
The InChIKey is CUTBQYOJWOSAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2)13-8-9(14-10)7-12-5-3-11-4-6-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine?
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine has a molecular weight of 200.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine is sourced from PubChem (CID 22732239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).