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

C15H23ClN2O — CID 64933518

IUPAC1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)ccc2OC)C(C)CN1
InChIInChI=1S/C15H23ClN2O/c1-4-5-13-10-18(11(2)9-17-13)14-8-12(16)6-7-15(14)19-3/h6-8,11,13,17H,4-5,9-10H2,1-3H3
InChIKeyKMPLYPBHFDHHRR-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.32
Rot. Bonds4

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

1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine (PubChem CID 64933518) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
PubChem CID64933518
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)ccc2OC)C(C)CN1
InChIInChI=1S/C15H23ClN2O/c1-4-5-13-10-18(11(2)9-17-13)14-8-12(16)6-7-15(14)19-3/h6-8,11,13,17H,4-5,9-10H2,1-3H3
InChIKeyKMPLYPBHFDHHRR-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64937512
1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
CID 64933636
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine
CID 64946315
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
CID 103587633
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
CID 64933320
2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64931762

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine (CID 64933518) is 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine is CCCC1CN(c2cc(Cl)ccc2OC)C(C)CN1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine?
The InChIKey is KMPLYPBHFDHHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-5-13-10-18(11(2)9-17-13)14-8-12(16)6-7-15(14)19-3/h6-8,11,13,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine?
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine has a molecular weight of 282.81 g/mol, XLogP of 3.32, 4 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)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64933518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).