1-ethyl-4-[(3-methylphenyl)methyl]piperazine

C14H22N2 — CID 792728

IUPAC1-ethyl-4-[(3-methylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C14H22N2/c1-3-15-7-9-16(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyLBUSHCOBJIVLJL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.13
Rot. Bonds3

About 1-ethyl-4-[(3-methylphenyl)methyl]piperazine

1-ethyl-4-[(3-methylphenyl)methyl]piperazine (PubChem CID 792728) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethyl-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3-methylphenyl)methyl]piperazine
PubChem CID792728
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-ethyl-4-[(3-methylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C14H22N2/c1-3-15-7-9-16(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyLBUSHCOBJIVLJL-UHFFFAOYSA-N
XLogP2.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3-methylphenyl)methyl]piperazine (CID 792728) is 1-ethyl-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3-methylphenyl)methyl]piperazine is CCN1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-ethyl-4-[(3-methylphenyl)methyl]piperazine?
The InChIKey is LBUSHCOBJIVLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-15-7-9-16(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-methylphenyl)methyl]piperazine?
1-ethyl-4-[(3-methylphenyl)methyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 792728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).