2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine

C13H24N2O — CID 64833938

IUPAC2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine
SMILESC1CN(CC2CCOCC2)C(C2CC2)CN1
InChIInChI=1S/C13H24N2O/c1-2-12(1)13-9-14-5-6-15(13)10-11-3-7-16-8-4-11/h11-14H,1-10H2
InChIKeyJXVQJJYKIGPYDZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds3

About 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine

2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64833938) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID64833938
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine
SMILESC1CN(CC2CCOCC2)C(C2CC2)CN1
InChIInChI=1S/C13H24N2O/c1-2-12(1)13-9-14-5-6-15(13)10-11-3-7-16-8-4-11/h11-14H,1-10H2
InChIKeyJXVQJJYKIGPYDZ-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine (CID 64833938) is 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine is C1CN(CC2CCOCC2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is JXVQJJYKIGPYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12(1)13-9-14-5-6-15(13)10-11-3-7-16-8-4-11/h11-14H,1-10H2.
What are the key properties of 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine?
2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 224.35 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 2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64833938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).