1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine

C15H23ClN2 — CID 64935839

IUPAC1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cccc(Cl)c2C)C(C)CN1
InChIInChI=1S/C15H23ClN2/c1-4-6-13-10-18(11(2)9-17-13)15-8-5-7-14(16)12(15)3/h5,7-8,11,13,17H,4,6,9-10H2,1-3H3
InChIKeyWPBBAOHEPONUQO-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine

1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine (PubChem CID 64935839) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
PubChem CID64935839
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cccc(Cl)c2C)C(C)CN1
InChIInChI=1S/C15H23ClN2/c1-4-6-13-10-18(11(2)9-17-13)15-8-5-7-14(16)12(15)3/h5,7-8,11,13,17H,4,6,9-10H2,1-3H3
InChIKeyWPBBAOHEPONUQO-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine (CID 64935839) is 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine is CCCC1CN(c2cccc(Cl)c2C)C(C)CN1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine?
The InChIKey is WPBBAOHEPONUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-4-6-13-10-18(11(2)9-17-13)15-8-5-7-14(16)12(15)3/h5,7-8,11,13,17H,4,6,9-10H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine?
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64935839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).