(2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H15Cl2N3O — CID 1246103

IUPAC(2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15Cl2N3O/c17-13-5-3-4-12(15(13)18)16(22)21-10-8-20(9-11-21)14-6-1-2-7-19-14/h1-7H,8-11H2
InChIKeyLWJCPHYISVLVAT-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.35
Rot. Bonds2

About (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1246103) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1246103
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name(2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15Cl2N3O/c17-13-5-3-4-12(15(13)18)16(22)21-10-8-20(9-11-21)14-6-1-2-7-19-14/h1-7H,8-11H2
InChIKeyLWJCPHYISVLVAT-UHFFFAOYSA-N
XLogP3.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1246103) is (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LWJCPHYISVLVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-13-5-3-4-12(15(13)18)16(22)21-10-8-20(9-11-21)14-6-1-2-7-19-14/h1-7H,8-11H2.
What are the key properties of (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 336.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1246103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).