(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H18Cl2N2O — CID 110662344

IUPAC(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2Cl)CC(C)N1C
InChIInChI=1S/C14H18Cl2N2O/c1-9-7-18(8-10(2)17(9)3)14(19)12-5-4-11(15)6-13(12)16/h4-6,9-10H,7-8H2,1-3H3
InChIKeyHHUKIIZVYBZZPK-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.16
Rot. Bonds1

About (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 110662344) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID110662344
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2Cl)CC(C)N1C
InChIInChI=1S/C14H18Cl2N2O/c1-9-7-18(8-10(2)17(9)3)14(19)12-5-4-11(15)6-13(12)16/h4-6,9-10H,7-8H2,1-3H3
InChIKeyHHUKIIZVYBZZPK-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540969
(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873383
(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873399
(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646486
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 110662344) is (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(Cl)cc2Cl)CC(C)N1C.
What is the InChIKey of (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is HHUKIIZVYBZZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9-7-18(8-10(2)17(9)3)14(19)12-5-4-11(15)6-13(12)16/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 301.22 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110662344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).