2-(1,3-dioxolan-2-ylmethyl)piperazine

C8H16N2O2 — CID 66610084

IUPAC2-(1,3-dioxolan-2-ylmethyl)piperazine
SMILESC1CNC(CC2OCCO2)CN1
InChIInChI=1S/C8H16N2O2/c1-2-10-7(6-9-1)5-8-11-3-4-12-8/h7-10H,1-6H2
InChIKeyXRENNVNLMMXBKI-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.69
Rot. Bonds2

About 2-(1,3-dioxolan-2-ylmethyl)piperazine

2-(1,3-dioxolan-2-ylmethyl)piperazine (PubChem CID 66610084) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-ylmethyl)piperazine
PubChem CID66610084
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(1,3-dioxolan-2-ylmethyl)piperazine
SMILESC1CNC(CC2OCCO2)CN1
InChIInChI=1S/C8H16N2O2/c1-2-10-7(6-9-1)5-8-11-3-4-12-8/h7-10H,1-6H2
InChIKeyXRENNVNLMMXBKI-UHFFFAOYSA-N
XLogP-0.69
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-Dioxolan-2-yl)ethyl]piperazine
CID 2760435
1,4-Dioxa-8-azaspiro[4.5]decane-7-methanamine
CID 21936680
1,3-Dioxolane;2-methylpiperazine
CID 68551241
3-(3-([1,3]Dioxolan-2-yl)propylamino)-1-aminobutane
CID 68862220
2-(1,3-Dioxolan-2-ylmethyl)piperazine-1-carbaldehyde
CID 91418594
1-[2-(1,3-Dioxolan-2-yl)ethyl]piperazin-1-ium
CID 173437163
1-[2-(1,3-Dioxolan-2-yl)ethyl]piperazine-1,4-diium
CID 7016843
(R)-1,4-Dioxa-8-azaspiro[4.5]decane-7-methanamine
CID 72207981
1-[1-(1,3-Dioxolan-2-yl)propan-2-yl]piperazine
CID 84006531
(S)-1,4-Dioxa-8-azaspiro[4.5]decane-7-methanamine
CID 92135520
2-[2-[2-(4-Methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine
CID 117170097
1-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl]piperazine
CID 165638031

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)piperazine?
The IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)piperazine (CID 66610084) is 2-(1,3-dioxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 2-(1,3-dioxolan-2-ylmethyl)piperazine?
The canonical SMILES for 2-(1,3-dioxolan-2-ylmethyl)piperazine is C1CNC(CC2OCCO2)CN1.
What is the InChIKey of 2-(1,3-dioxolan-2-ylmethyl)piperazine?
The InChIKey is XRENNVNLMMXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-10-7(6-9-1)5-8-11-3-4-12-8/h7-10H,1-6H2.
What are the key properties of 2-(1,3-dioxolan-2-ylmethyl)piperazine?
2-(1,3-dioxolan-2-ylmethyl)piperazine has a molecular weight of 172.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 66610084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).