1-(1,3-dioxan-4-ylmethyl)piperazine

C9H18N2O2 — CID 43348694

IUPAC1-(1,3-dioxan-4-ylmethyl)piperazine
SMILESC1CN(CC2CCOCO2)CCN1
InChIInChI=1S/C9H18N2O2/c1-6-12-8-13-9(1)7-11-4-2-10-3-5-11/h9-10H,1-8H2
InChIKeyIZDALUHESGXCPF-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.35
Rot. Bonds2

About 1-(1,3-dioxan-4-ylmethyl)piperazine

1-(1,3-dioxan-4-ylmethyl)piperazine (PubChem CID 43348694) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-ylmethyl)piperazine
PubChem CID43348694
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(1,3-dioxan-4-ylmethyl)piperazine
SMILESC1CN(CC2CCOCO2)CCN1
InChIInChI=1S/C9H18N2O2/c1-6-12-8-13-9(1)7-11-4-2-10-3-5-11/h9-10H,1-8H2
InChIKeyIZDALUHESGXCPF-UHFFFAOYSA-N
XLogP-0.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-ylmethyl)piperazine?
The IUPAC name of 1-(1,3-dioxan-4-ylmethyl)piperazine (CID 43348694) is 1-(1,3-dioxan-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(1,3-dioxan-4-ylmethyl)piperazine?
The canonical SMILES for 1-(1,3-dioxan-4-ylmethyl)piperazine is C1CN(CC2CCOCO2)CCN1.
What is the InChIKey of 1-(1,3-dioxan-4-ylmethyl)piperazine?
The InChIKey is IZDALUHESGXCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-12-8-13-9(1)7-11-4-2-10-3-5-11/h9-10H,1-8H2.
What are the key properties of 1-(1,3-dioxan-4-ylmethyl)piperazine?
1-(1,3-dioxan-4-ylmethyl)piperazine has a molecular weight of 186.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-ylmethyl)piperazine is sourced from PubChem (CID 43348694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).