(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone

C17H24N2O2 — CID 56816540

IUPAC(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCCOC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-9-11-19(12-10-18)17(20)15-8-5-13-21-16(15)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyLJPZMGNIRWPRMG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone

(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone (PubChem CID 56816540) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
PubChem CID56816540
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCCOC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-9-11-19(12-10-18)17(20)15-8-5-13-21-16(15)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyLJPZMGNIRWPRMG-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone (CID 56816540) is (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone is CN1CCN(C(=O)C2CCCOC2c2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone?
The InChIKey is LJPZMGNIRWPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-9-11-19(12-10-18)17(20)15-8-5-13-21-16(15)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone?
(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone is sourced from PubChem (CID 56816540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).