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

C17H24N2O2 — CID 82250270

IUPAC(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone
SMILESCC1CNCCN1C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H24N2O2/c1-14-13-18-9-10-19(14)16(20)17(7-11-21-12-8-17)15-5-3-2-4-6-15/h2-6,14,18H,7-13H2,1H3
InChIKeyITIZWASOLAARAO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.56
Rot. Bonds2

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

(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone (PubChem CID 82250270) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone
PubChem CID82250270
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone
SMILESCC1CNCCN1C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H24N2O2/c1-14-13-18-9-10-19(14)16(20)17(7-11-21-12-8-17)15-5-3-2-4-6-15/h2-6,14,18H,7-13H2,1H3
InChIKeyITIZWASOLAARAO-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone (CID 82250270) is (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone is CC1CNCCN1C(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone?
The InChIKey is ITIZWASOLAARAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14-13-18-9-10-19(14)16(20)17(7-11-21-12-8-17)15-5-3-2-4-6-15/h2-6,14,18H,7-13H2,1H3.
What are the key properties of (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone?
(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 82250270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).