2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol

C14H23N3O — CID 86797266

IUPAC2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-3-13(11-18)16-7-9-17(10-8-16)14-6-4-5-12(2)15-14/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyXWTNTHCFTSJZBF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol

2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol (PubChem CID 86797266) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol
PubChem CID86797266
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-3-13(11-18)16-7-9-17(10-8-16)14-6-4-5-12(2)15-14/h4-6,13,18H,3,7-11H2,1-2H3
InChIKeyXWTNTHCFTSJZBF-UHFFFAOYSA-N
XLogP1.28
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol (CID 86797266) is 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol?
The InChIKey is XWTNTHCFTSJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-13(11-18)16-7-9-17(10-8-16)14-6-4-5-12(2)15-14/h4-6,13,18H,3,7-11H2,1-2H3.
What are the key properties of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol?
2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 86797266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).