1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine

C13H26N2O — CID 116829845

IUPAC1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine
SMILESCC(C)(CC1CCOCC1)N1CCNCC1
InChIInChI=1S/C13H26N2O/c1-13(2,15-7-5-14-6-8-15)11-12-3-9-16-10-4-12/h12,14H,3-11H2,1-2H3
InChIKeyPIHAYGYJWWPQPS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds3

About 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine

1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine (PubChem CID 116829845) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine
PubChem CID116829845
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine
SMILESCC(C)(CC1CCOCC1)N1CCNCC1
InChIInChI=1S/C13H26N2O/c1-13(2,15-7-5-14-6-8-15)11-12-3-9-16-10-4-12/h12,14H,3-11H2,1-2H3
InChIKeyPIHAYGYJWWPQPS-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine (CID 116829845) is 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine is CC(C)(CC1CCOCC1)N1CCNCC1.
What is the InChIKey of 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine?
The InChIKey is PIHAYGYJWWPQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,15-7-5-14-6-8-15)11-12-3-9-16-10-4-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine?
1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine has a molecular weight of 226.36 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 1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine is sourced from PubChem (CID 116829845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).