1-(oxan-4-yl)-4-(2-phenylethyl)piperazine

C17H26N2O — CID 84585581

IUPAC1-(oxan-4-yl)-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-4-16(5-3-1)6-9-18-10-12-19(13-11-18)17-7-14-20-15-8-17/h1-5,17H,6-15H2
InChIKeySLIPCBRWNPJRIE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.03
Rot. Bonds4

About 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine

1-(oxan-4-yl)-4-(2-phenylethyl)piperazine (PubChem CID 84585581) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-(2-phenylethyl)piperazine
PubChem CID84585581
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(oxan-4-yl)-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-4-16(5-3-1)6-9-18-10-12-19(13-11-18)17-7-14-20-15-8-17/h1-5,17H,6-15H2
InChIKeySLIPCBRWNPJRIE-UHFFFAOYSA-N
XLogP2.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine (CID 84585581) is 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine is c1ccc(CCN2CCN(C3CCOCC3)CC2)cc1.
What is the InChIKey of 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine?
The InChIKey is SLIPCBRWNPJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-4-16(5-3-1)6-9-18-10-12-19(13-11-18)17-7-14-20-15-8-17/h1-5,17H,6-15H2.
What are the key properties of 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine?
1-(oxan-4-yl)-4-(2-phenylethyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 84585581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).