1-[(3-chlorophenyl)methyl]-4-ethylpiperazine

C13H19ClN2 — CID 763246

IUPAC1-[(3-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2/c1-2-15-6-8-16(9-7-15)11-12-4-3-5-13(14)10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyHKTOGSHUZQDJFN-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.48
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine

1-[(3-chlorophenyl)methyl]-4-ethylpiperazine (PubChem CID 763246) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-ethylpiperazine
PubChem CID763246
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[(3-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2/c1-2-15-6-8-16(9-7-15)11-12-4-3-5-13(14)10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyHKTOGSHUZQDJFN-UHFFFAOYSA-N
XLogP2.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine (CID 763246) is 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine?
The InChIKey is HKTOGSHUZQDJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-15-6-8-16(9-7-15)11-12-4-3-5-13(14)10-12/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine?
1-[(3-chlorophenyl)methyl]-4-ethylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 763246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).