1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine

C24H33N3O — CID 46987119

IUPAC1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine
SMILESCOCCN1CCN(C2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C24H33N3O/c1-28-19-18-25-14-16-27(17-15-25)23-10-12-26(13-11-23)24-9-5-8-22(20-24)21-6-3-2-4-7-21/h2-9,20,23H,10-19H2,1H3
InChIKeyHEKMHPDCFFZZIB-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine

1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine (PubChem CID 46987119) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine
PubChem CID46987119
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine
SMILESCOCCN1CCN(C2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C24H33N3O/c1-28-19-18-25-14-16-27(17-15-25)23-10-12-26(13-11-23)24-9-5-8-22(20-24)21-6-3-2-4-7-21/h2-9,20,23H,10-19H2,1H3
InChIKeyHEKMHPDCFFZZIB-UHFFFAOYSA-N
XLogP3.59
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine (CID 46987119) is 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine is COCCN1CCN(C2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine?
The InChIKey is HEKMHPDCFFZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-28-19-18-25-14-16-27(17-15-25)23-10-12-26(13-11-23)24-9-5-8-22(20-24)21-6-3-2-4-7-21/h2-9,20,23H,10-19H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine?
1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine has a molecular weight of 379.55 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[1-(3-phenylphenyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 46987119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).