2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol

C14H23N3O — CID 170257240

IUPAC2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
SMILESCCN1CCN(c2cccc(C(C)(C)O)n2)CC1
InChIInChI=1S/C14H23N3O/c1-4-16-8-10-17(11-9-16)13-7-5-6-12(15-13)14(2,3)18/h5-7,18H,4,8-11H2,1-3H3
InChIKeyNSNRAWNUEOICFF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.45
Rot. Bonds3

About 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol

2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol (PubChem CID 170257240) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
PubChem CID170257240
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
SMILESCCN1CCN(c2cccc(C(C)(C)O)n2)CC1
InChIInChI=1S/C14H23N3O/c1-4-16-8-10-17(11-9-16)13-7-5-6-12(15-13)14(2,3)18/h5-7,18H,4,8-11H2,1-3H3
InChIKeyNSNRAWNUEOICFF-UHFFFAOYSA-N
XLogP1.45
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol (CID 170257240) is 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol is CCN1CCN(c2cccc(C(C)(C)O)n2)CC1.
What is the InChIKey of 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is NSNRAWNUEOICFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-16-8-10-17(11-9-16)13-7-5-6-12(15-13)14(2,3)18/h5-7,18H,4,8-11H2,1-3H3.
What are the key properties of 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol?
2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 170257240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).