2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone

C15H18N2O2 — CID 3068794

IUPAC2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C15H18N2O2/c1-16-6-8-17(9-7-16)15(18)13-10-12-4-2-3-5-14(12)19-11-13/h2-5,10H,6-9,11H2,1H3
InChIKeyWTXNAKJCDLIXOH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.24
Rot. Bonds1

About 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone

2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 3068794) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID3068794
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C15H18N2O2/c1-16-6-8-17(9-7-16)15(18)13-10-12-4-2-3-5-14(12)19-11-13/h2-5,10H,6-9,11H2,1H3
InChIKeyWTXNAKJCDLIXOH-UHFFFAOYSA-N
XLogP1.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone (CID 3068794) is 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2=Cc3ccccc3OC2)CC1.
What is the InChIKey of 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WTXNAKJCDLIXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-6-8-17(9-7-16)15(18)13-10-12-4-2-3-5-14(12)19-11-13/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone?
2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3068794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).