1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine

C22H26N2O4 — CID 3006254

IUPAC1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine
SMILESc1cc(N2CCN(c3ccc(C4OCCO4)cc3)CC2)ccc1C1OCCO1
InChIInChI=1S/C22H26N2O4/c1-5-19(6-2-17(1)21-25-13-14-26-21)23-9-11-24(12-10-23)20-7-3-18(4-8-20)22-27-15-16-28-22/h1-8,21-22H,9-16H2
InChIKeyVKOYKILEFXZPMW-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.10
Rot. Bonds4

About 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine

1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine (PubChem CID 3006254) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine
PubChem CID3006254
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine
SMILESc1cc(N2CCN(c3ccc(C4OCCO4)cc3)CC2)ccc1C1OCCO1
InChIInChI=1S/C22H26N2O4/c1-5-19(6-2-17(1)21-25-13-14-26-21)23-9-11-24(12-10-23)20-7-3-18(4-8-20)22-27-15-16-28-22/h1-8,21-22H,9-16H2
InChIKeyVKOYKILEFXZPMW-UHFFFAOYSA-N
XLogP3.10
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine?
The IUPAC name of 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine (CID 3006254) is 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine.
What is the SMILES notation for 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine?
The canonical SMILES for 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine is c1cc(N2CCN(c3ccc(C4OCCO4)cc3)CC2)ccc1C1OCCO1.
What is the InChIKey of 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine?
The InChIKey is VKOYKILEFXZPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-19(6-2-17(1)21-25-13-14-26-21)23-9-11-24(12-10-23)20-7-3-18(4-8-20)22-27-15-16-28-22/h1-8,21-22H,9-16H2.
What are the key properties of 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine?
1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine has a molecular weight of 382.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(1,3-dioxolan-2-yl)phenyl]piperazine is sourced from PubChem (CID 3006254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).