3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine

C13H24N2O — CID 64952742

IUPAC3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
SMILESC1COCC(CN2CCNC(C3CC3)C2)C1
InChIInChI=1S/C13H24N2O/c1-2-11(10-16-7-1)8-15-6-5-14-13(9-15)12-3-4-12/h11-14H,1-10H2
InChIKeyYSOISBIVGRTIPV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds3

About 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine

3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine (PubChem CID 64952742) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
PubChem CID64952742
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
SMILESC1COCC(CN2CCNC(C3CC3)C2)C1
InChIInChI=1S/C13H24N2O/c1-2-11(10-16-7-1)8-15-6-5-14-13(9-15)12-3-4-12/h11-14H,1-10H2
InChIKeyYSOISBIVGRTIPV-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 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine?
The IUPAC name of 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine (CID 64952742) is 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine.
What is the SMILES notation for 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine?
The canonical SMILES for 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine is C1COCC(CN2CCNC(C3CC3)C2)C1.
What is the InChIKey of 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine?
The InChIKey is YSOISBIVGRTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-11(10-16-7-1)8-15-6-5-14-13(9-15)12-3-4-12/h11-14H,1-10H2.
What are the key properties of 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine?
3-cyclopropyl-1-(oxan-3-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 3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine is sourced from PubChem (CID 64952742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).