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

C16H24Cl2N2 — CID 64839775

IUPAC1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-4-5-13-10-20(16(2,3)11-19-13)9-12-6-7-14(17)15(18)8-12/h6-8,13,19H,4-5,9-11H2,1-3H3
InChIKeyQLLRIMNIHFBFCS-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.35
Rot. Bonds4

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

1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine (PubChem CID 64839775) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
PubChem CID64839775
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-4-5-13-10-20(16(2,3)11-19-13)9-12-6-7-14(17)15(18)8-12/h6-8,13,19H,4-5,9-11H2,1-3H3
InChIKeyQLLRIMNIHFBFCS-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine (CID 64839775) is 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine is CCCC1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)CN1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The InChIKey is QLLRIMNIHFBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-5-13-10-20(16(2,3)11-19-13)9-12-6-7-14(17)15(18)8-12/h6-8,13,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.35, 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]-2,2-dimethyl-5-propylpiperazine is sourced from PubChem (CID 64839775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).