1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine

C13H18Cl2N2 — CID 65317407

IUPAC1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
SMILESCCC1CN(Cc2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C13H18Cl2N2/c1-2-12-9-17(6-5-16-12)8-10-7-11(14)3-4-13(10)15/h3-4,7,12,16H,2,5-6,8-9H2,1H3
InChIKeyRWYDDAQEXJWEPS-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.18
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine

1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine (PubChem CID 65317407) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
PubChem CID65317407
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine
SMILESCCC1CN(Cc2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C13H18Cl2N2/c1-2-12-9-17(6-5-16-12)8-10-7-11(14)3-4-13(10)15/h3-4,7,12,16H,2,5-6,8-9H2,1H3
InChIKeyRWYDDAQEXJWEPS-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-3-ethylpiperazine
CID 114860278
1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65317608
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
(3S)-1-[(5-chloro-2-methyl-3-nitrophenyl)methyl]-3-ethylpiperazine
CID 118550155
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114511185
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethyl-1,4-diazepane
CID 107888718
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
CID 64832896
1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
CID 81271640
2-[(3-ethylpiperazin-1-yl)methyl]pyrimidine
CID 64831814
3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 65318449
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine (CID 65317407) is 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine is CCC1CN(Cc2cc(Cl)ccc2Cl)CCN1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine?
The InChIKey is RWYDDAQEXJWEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-2-12-9-17(6-5-16-12)8-10-7-11(14)3-4-13(10)15/h3-4,7,12,16H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine?
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperazine has a molecular weight of 273.21 g/mol, XLogP of 3.18, 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]-3-ethylpiperazine is sourced from PubChem (CID 65317407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).