1-[1-(oxan-4-yl)propyl]piperazine

C12H24N2O — CID 82394335

IUPAC1-[1-(oxan-4-yl)propyl]piperazine
SMILESCCC(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C12H24N2O/c1-2-12(11-3-9-15-10-4-11)14-7-5-13-6-8-14/h11-13H,2-10H2,1H3
InChIKeyRCAMQORCAWSFKL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds3

About 1-[1-(oxan-4-yl)propyl]piperazine

1-[1-(oxan-4-yl)propyl]piperazine (PubChem CID 82394335) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)propyl]piperazine
PubChem CID82394335
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[1-(oxan-4-yl)propyl]piperazine
SMILESCCC(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C12H24N2O/c1-2-12(11-3-9-15-10-4-11)14-7-5-13-6-8-14/h11-13H,2-10H2,1H3
InChIKeyRCAMQORCAWSFKL-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)propyl]piperazine?
The IUPAC name of 1-[1-(oxan-4-yl)propyl]piperazine (CID 82394335) is 1-[1-(oxan-4-yl)propyl]piperazine.
What is the SMILES notation for 1-[1-(oxan-4-yl)propyl]piperazine?
The canonical SMILES for 1-[1-(oxan-4-yl)propyl]piperazine is CCC(C1CCOCC1)N1CCNCC1.
What is the InChIKey of 1-[1-(oxan-4-yl)propyl]piperazine?
The InChIKey is RCAMQORCAWSFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-12(11-3-9-15-10-4-11)14-7-5-13-6-8-14/h11-13H,2-10H2,1H3.
What are the key properties of 1-[1-(oxan-4-yl)propyl]piperazine?
1-[1-(oxan-4-yl)propyl]piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)propyl]piperazine is sourced from PubChem (CID 82394335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).