1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine

C16H25ClN2O — CID 64846366

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(Cl)ccc2OC)C(C)CN1
InChIInChI=1S/C16H25ClN2O/c1-4-5-15-11-19(12(2)9-18-15)10-13-8-14(17)6-7-16(13)20-3/h6-8,12,15,18H,4-5,9-11H2,1-3H3
InChIKeyDIJDONHXTBBFKB-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.31
Rot. Bonds5

About 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine

1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine (PubChem CID 64846366) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
PubChem CID64846366
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(Cl)ccc2OC)C(C)CN1
InChIInChI=1S/C16H25ClN2O/c1-4-5-15-11-19(12(2)9-18-15)10-13-8-14(17)6-7-16(13)20-3/h6-8,12,15,18H,4-5,9-11H2,1-3H3
InChIKeyDIJDONHXTBBFKB-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine (CID 64846366) is 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine is CCCC1CN(Cc2cc(Cl)ccc2OC)C(C)CN1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
The InChIKey is DIJDONHXTBBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-5-15-11-19(12(2)9-18-15)10-13-8-14(17)6-7-16(13)20-3/h6-8,12,15,18H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine has a molecular weight of 296.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64846366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).