1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine

C16H25ClN2 — CID 64846770

IUPAC1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cccc(Cl)c2)C(CC)CN1
InChIInChI=1S/C16H25ClN2/c1-3-6-15-12-19(16(4-2)10-18-15)11-13-7-5-8-14(17)9-13/h5,7-9,15-16,18H,3-4,6,10-12H2,1-2H3
InChIKeyRJAKCRXZBBCYED-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.69
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine

1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine (PubChem CID 64846770) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
PubChem CID64846770
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cccc(Cl)c2)C(CC)CN1
InChIInChI=1S/C16H25ClN2/c1-3-6-15-12-19(16(4-2)10-18-15)11-13-7-5-8-14(17)9-13/h5,7-9,15-16,18H,3-4,6,10-12H2,1-2H3
InChIKeyRJAKCRXZBBCYED-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine (CID 64846770) is 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine is CCCC1CN(Cc2cccc(Cl)c2)C(CC)CN1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine?
The InChIKey is RJAKCRXZBBCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-6-15-12-19(16(4-2)10-18-15)11-13-7-5-8-14(17)9-13/h5,7-9,15-16,18H,3-4,6,10-12H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine?
1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 64846770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).