5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine

C17H29N3O — CID 82885141

IUPAC5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1cc(OC)cc(C)n1
InChIInChI=1S/C17H29N3O/c1-5-7-16-10-18-14(6-2)11-20(16)12-15-9-17(21-4)8-13(3)19-15/h8-9,14,16,18H,5-7,10-12H2,1-4H3
InChIKeyHFSFUVKBZYNSJL-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.75
Rot. Bonds6

About 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine

5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine (PubChem CID 82885141) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
PubChem CID82885141
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1cc(OC)cc(C)n1
InChIInChI=1S/C17H29N3O/c1-5-7-16-10-18-14(6-2)11-20(16)12-15-9-17(21-4)8-13(3)19-15/h8-9,14,16,18H,5-7,10-12H2,1-4H3
InChIKeyHFSFUVKBZYNSJL-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine?
The IUPAC name of 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine (CID 82885141) is 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine is CCCC1CNC(CC)CN1Cc1cc(OC)cc(C)n1.
What is the InChIKey of 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine?
The InChIKey is HFSFUVKBZYNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-7-16-10-18-14(6-2)11-20(16)12-15-9-17(21-4)8-13(3)19-15/h8-9,14,16,18H,5-7,10-12H2,1-4H3.
What are the key properties of 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine?
5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine has a molecular weight of 291.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 82885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).