1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine

C15H23N3O2 — CID 86795509

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(CCC3OCCO3)CC2)nc1
InChIInChI=1S/C15H23N3O2/c1-2-5-16-14(3-1)13-18-9-7-17(8-10-18)6-4-15-19-11-12-20-15/h1-3,5,15H,4,6-13H2
InChIKeyAXVMMKJPQASFRD-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds5

About 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 86795509) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID86795509
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(CCC3OCCO3)CC2)nc1
InChIInChI=1S/C15H23N3O2/c1-2-5-16-14(3-1)13-18-9-7-17(8-10-18)6-4-15-19-11-12-20-15/h1-3,5,15H,4,6-13H2
InChIKeyAXVMMKJPQASFRD-UHFFFAOYSA-N
XLogP0.96
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine (CID 86795509) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine is c1ccc(CN2CCN(CCC3OCCO3)CC2)nc1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is AXVMMKJPQASFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-5-16-14(3-1)13-18-9-7-17(8-10-18)6-4-15-19-11-12-20-15/h1-3,5,15H,4,6-13H2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 277.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 86795509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).