3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine

C14H26N2O — CID 64832698

IUPAC3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCC1(C2CC2)CN(CC2CCOCC2)CCN1
InChIInChI=1S/C14H26N2O/c1-14(13-2-3-13)11-16(7-6-15-14)10-12-4-8-17-9-5-12/h12-13,15H,2-11H2,1H3
InChIKeyZJBYYYAABOLQGX-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.49
Rot. Bonds3

About 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine

3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64832698) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID64832698
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCC1(C2CC2)CN(CC2CCOCC2)CCN1
InChIInChI=1S/C14H26N2O/c1-14(13-2-3-13)11-16(7-6-15-14)10-12-4-8-17-9-5-12/h12-13,15H,2-11H2,1H3
InChIKeyZJBYYYAABOLQGX-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine (CID 64832698) is 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine is CC1(C2CC2)CN(CC2CCOCC2)CCN1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is ZJBYYYAABOLQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(13-2-3-13)11-16(7-6-15-14)10-12-4-8-17-9-5-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine?
3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 238.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64832698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).