1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine

C15H22Cl2N2 — CID 64842881

IUPAC1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)c(Cl)c2)C(CC)CN1
InChIInChI=1S/C15H22Cl2N2/c1-3-12-10-19(13(4-2)8-18-12)9-11-5-6-14(16)15(17)7-11/h5-7,12-13,18H,3-4,8-10H2,1-2H3
InChIKeyNDYIHAOOOMHHTQ-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine

1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine (PubChem CID 64842881) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
PubChem CID64842881
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)c(Cl)c2)C(CC)CN1
InChIInChI=1S/C15H22Cl2N2/c1-3-12-10-19(13(4-2)8-18-12)9-11-5-6-14(16)15(17)7-11/h5-7,12-13,18H,3-4,8-10H2,1-2H3
InChIKeyNDYIHAOOOMHHTQ-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
1-[(3,5-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64977817
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-diethylpiperazine
CID 64978599
3-[(2,5-diethylpiperazin-1-yl)methyl]benzonitrile
CID 64977771
1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64846770
2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propylpiperazine
CID 64838200
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine
CID 64979145
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-ethylpiperazine
CID 107888537
1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
CID 64978692

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine (CID 64842881) is 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine is CCC1CN(Cc2ccc(Cl)c(Cl)c2)C(CC)CN1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine?
The InChIKey is NDYIHAOOOMHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-3-12-10-19(13(4-2)8-18-12)9-11-5-6-14(16)15(17)7-11/h5-7,12-13,18H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine?
1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine has a molecular weight of 301.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine is sourced from PubChem (CID 64842881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).