(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone

C12H14Cl2N2O — CID 65419188

IUPAC(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C12H14Cl2N2O/c1-8-7-16(5-4-15-8)12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyMTJRZHQHKUSJHK-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.43
Rot. Bonds1

About (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone

(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 65419188) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID65419188
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C12H14Cl2N2O/c1-8-7-16(5-4-15-8)12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyMTJRZHQHKUSJHK-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone (CID 65419188) is (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)ccc2Cl)CCN1.
What is the InChIKey of (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is MTJRZHQHKUSJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-8-7-16(5-4-15-8)12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 273.16 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 65419188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).