1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine

C19H23ClN2O — CID 1377043

IUPAC1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c1-2-23-19-6-4-3-5-18(19)22-13-11-21(12-14-22)15-16-7-9-17(20)10-8-16/h3-10H,2,11-15H2,1H3
InChIKeyPUBBQUARILEKMY-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.06
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine

1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine (PubChem CID 1377043) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine
PubChem CID1377043
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c1-2-23-19-6-4-3-5-18(19)22-13-11-21(12-14-22)15-16-7-9-17(20)10-8-16/h3-10H,2,11-15H2,1H3
InChIKeyPUBBQUARILEKMY-UHFFFAOYSA-N
XLogP4.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine (CID 1377043) is 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The InChIKey is PUBBQUARILEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-2-23-19-6-4-3-5-18(19)22-13-11-21(12-14-22)15-16-7-9-17(20)10-8-16/h3-10H,2,11-15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine has a molecular weight of 330.86 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 1377043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).