2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol

C16H19N3O — CID 17424463

IUPAC2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H19N3O/c20-16-7-2-1-6-15(16)19-11-9-18(10-12-19)13-14-5-3-4-8-17-14/h1-8,20H,9-13H2
InChIKeyNUFQYFXOANOORZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.11
Rot. Bonds3

About 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol (PubChem CID 17424463) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol
PubChem CID17424463
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H19N3O/c20-16-7-2-1-6-15(16)19-11-9-18(10-12-19)13-14-5-3-4-8-17-14/h1-8,20H,9-13H2
InChIKeyNUFQYFXOANOORZ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol (CID 17424463) is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol is Oc1ccccc1N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol?
The InChIKey is NUFQYFXOANOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16-7-2-1-6-15(16)19-11-9-18(10-12-19)13-14-5-3-4-8-17-14/h1-8,20H,9-13H2.
What are the key properties of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol?
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol has a molecular weight of 269.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 17424463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).