1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine

C20H27N3O — CID 46044468

IUPAC1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine
SMILESCCOc1ccc(-c2cncc(CN3CCN(CC)CC3)c2)cc1
InChIInChI=1S/C20H27N3O/c1-3-22-9-11-23(12-10-22)16-17-13-19(15-21-14-17)18-5-7-20(8-6-18)24-4-2/h5-8,13-15H,3-4,9-12,16H2,1-2H3
InChIKeyJUWGYVSZUREYJH-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.28
Rot. Bonds6

About 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine

1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine (PubChem CID 46044468) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine
PubChem CID46044468
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine
SMILESCCOc1ccc(-c2cncc(CN3CCN(CC)CC3)c2)cc1
InChIInChI=1S/C20H27N3O/c1-3-22-9-11-23(12-10-22)16-17-13-19(15-21-14-17)18-5-7-20(8-6-18)24-4-2/h5-8,13-15H,3-4,9-12,16H2,1-2H3
InChIKeyJUWGYVSZUREYJH-UHFFFAOYSA-N
XLogP3.28
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2735289
CID 2735289
CID 92136227
CID 92136227
CID 735606
CID 735606
CID 6539771
CID 6539771
CID 6539772
CID 6539772
CID 6539773
CID 6539773
CID 6539774
CID 6539774
CID 6539798
CID 6539798
CID 6539799
CID 6539799
CID 6540048
CID 6540048
CID 6540049
CID 6540049
CID 6540057
CID 6540057

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine (CID 46044468) is 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine is CCOc1ccc(-c2cncc(CN3CCN(CC)CC3)c2)cc1.
What is the InChIKey of 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine?
The InChIKey is JUWGYVSZUREYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-22-9-11-23(12-10-22)16-17-13-19(15-21-14-17)18-5-7-20(8-6-18)24-4-2/h5-8,13-15H,3-4,9-12,16H2,1-2H3.
What are the key properties of 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine?
1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine has a molecular weight of 325.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 46044468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).