(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

C14H19ClN2O — CID 107098174

IUPAC(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCc1c(Cl)cccc1C(=O)N1C(C)CNCC1C
InChIInChI=1S/C14H19ClN2O/c1-9-7-16-8-10(2)17(9)14(18)12-5-4-6-13(15)11(12)3/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyQMPMOEKFWIEDRE-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.47
Rot. Bonds1

About (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 107098174) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID107098174
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCc1c(Cl)cccc1C(=O)N1C(C)CNCC1C
InChIInChI=1S/C14H19ClN2O/c1-9-7-16-8-10(2)17(9)14(18)12-5-4-6-13(15)11(12)3/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyQMPMOEKFWIEDRE-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (CID 107098174) is (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is Cc1c(Cl)cccc1C(=O)N1C(C)CNCC1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is QMPMOEKFWIEDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-7-16-8-10(2)17(9)14(18)12-5-4-6-13(15)11(12)3/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107098174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).