1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine

C12H17N3O2 — CID 130955693

IUPAC1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine
SMILESc1cc(C2OCCO2)ncc1N1CCNCC1
InChIInChI=1S/C12H17N3O2/c1-2-11(12-16-7-8-17-12)14-9-10(1)15-5-3-13-4-6-15/h1-2,9,12-13H,3-8H2
InChIKeyFEEBNONDFMEVKG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.54
Rot. Bonds2

About 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine

1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine (PubChem CID 130955693) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine
PubChem CID130955693
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine
SMILESc1cc(C2OCCO2)ncc1N1CCNCC1
InChIInChI=1S/C12H17N3O2/c1-2-11(12-16-7-8-17-12)14-9-10(1)15-5-3-13-4-6-15/h1-2,9,12-13H,3-8H2
InChIKeyFEEBNONDFMEVKG-UHFFFAOYSA-N
XLogP0.54
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290
1-(6-cyclopentyloxy-3-pyridinyl)piperazine
CID 68513271
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
2-(5-piperazin-1-yl-2-pyridinyl)isoindole-1,3-dione
CID 130622966
N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
CID 169189713
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418
2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine
CID 71091129

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine?
The IUPAC name of 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine (CID 130955693) is 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine is c1cc(C2OCCO2)ncc1N1CCNCC1.
What is the InChIKey of 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine?
The InChIKey is FEEBNONDFMEVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-11(12-16-7-8-17-12)14-9-10(1)15-5-3-13-4-6-15/h1-2,9,12-13H,3-8H2.
What are the key properties of 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine?
1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine has a molecular weight of 235.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine is sourced from PubChem (CID 130955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).