1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine

C14H20Cl2N2 — CID 65317608

IUPAC1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2cc(Cl)ccc2Cl)C(C)CN1
InChIInChI=1S/C14H20Cl2N2/c1-3-13-9-18(10(2)7-17-13)8-11-6-12(15)4-5-14(11)16/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyQDNKIMKAFMEIOV-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine

1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine (PubChem CID 65317608) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine
PubChem CID65317608
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2cc(Cl)ccc2Cl)C(C)CN1
InChIInChI=1S/C14H20Cl2N2/c1-3-13-9-18(10(2)7-17-13)8-11-6-12(15)4-5-14(11)16/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyQDNKIMKAFMEIOV-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 65317892
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
CID 65317407
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5-propylpiperazine
CID 65317988
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651
5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine
CID 102620665
1-[(5-chloro-2-nitrophenyl)methyl]-2,5-diethylpiperazine
CID 79556979

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine (CID 65317608) is 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine is CCC1CN(Cc2cc(Cl)ccc2Cl)C(C)CN1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine?
The InChIKey is QDNKIMKAFMEIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-3-13-9-18(10(2)7-17-13)8-11-6-12(15)4-5-14(11)16/h4-6,10,13,17H,3,7-9H2,1-2H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine?
1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 65317608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).