1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine

C15H23ClN2 — CID 106870298

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(Cc2ccc(C)cc2Cl)CCN1
InChIInChI=1S/C15H23ClN2/c1-4-15(3)11-18(8-7-17-15)10-13-6-5-12(2)9-14(13)16/h5-6,9,17H,4,7-8,10-11H2,1-3H3
InChIKeyODHKXLDYLGBXQY-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.22
Rot. Bonds3

About 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine

1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine (PubChem CID 106870298) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine
PubChem CID106870298
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(Cc2ccc(C)cc2Cl)CCN1
InChIInChI=1S/C15H23ClN2/c1-4-15(3)11-18(8-7-17-15)10-13-6-5-12(2)9-14(13)16/h5-6,9,17H,4,7-8,10-11H2,1-3H3
InChIKeyODHKXLDYLGBXQY-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine (CID 106870298) is 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine is CCC1(C)CN(Cc2ccc(C)cc2Cl)CCN1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine?
The InChIKey is ODHKXLDYLGBXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-4-15(3)11-18(8-7-17-15)10-13-6-5-12(2)9-14(13)16/h5-6,9,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine?
1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 106870298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).