[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol

C16H19N3O — CID 62254100

IUPAC[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3O/c20-13-14-5-4-8-16(17-14)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,20H,9-13H2
InChIKeyKASABYRZYQTDAC-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.90
Rot. Bonds3

About [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol

[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol (PubChem CID 62254100) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol
PubChem CID62254100
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3O/c20-13-14-5-4-8-16(17-14)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,20H,9-13H2
InChIKeyKASABYRZYQTDAC-UHFFFAOYSA-N
XLogP1.90
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol (CID 62254100) is [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol is OCc1cccc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol?
The InChIKey is KASABYRZYQTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-13-14-5-4-8-16(17-14)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,20H,9-13H2.
What are the key properties of [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol?
[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol has a molecular weight of 269.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 62254100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).