1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine

C15H25N3O — CID 146606159

IUPAC1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
SMILESCCN1CCN(c2ccc(OC(C)(C)C)nc2)CC1
InChIInChI=1S/C15H25N3O/c1-5-17-8-10-18(11-9-17)13-6-7-14(16-12-13)19-15(2,3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyJPJONAUPDAKZDX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds3

About 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine

1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine (PubChem CID 146606159) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
PubChem CID146606159
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
SMILESCCN1CCN(c2ccc(OC(C)(C)C)nc2)CC1
InChIInChI=1S/C15H25N3O/c1-5-17-8-10-18(11-9-17)13-6-7-14(16-12-13)19-15(2,3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyJPJONAUPDAKZDX-UHFFFAOYSA-N
XLogP2.40
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
The IUPAC name of 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine (CID 146606159) is 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
The canonical SMILES for 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine is CCN1CCN(c2ccc(OC(C)(C)C)nc2)CC1.
What is the InChIKey of 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
The InChIKey is JPJONAUPDAKZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-17-8-10-18(11-9-17)13-6-7-14(16-12-13)19-15(2,3)4/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine has a molecular weight of 263.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine is sourced from PubChem (CID 146606159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).