2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol

C17H21N3O — CID 3044998

IUPAC2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C17H21N3O/c21-17(15-6-8-18-9-7-15)14-19-10-12-20(13-11-19)16-4-2-1-3-5-16/h1-9,17,21H,10-14H2
InChIKeyGJGCCLWHKBPPIJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol

2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol (PubChem CID 3044998) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol
PubChem CID3044998
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C17H21N3O/c21-17(15-6-8-18-9-7-15)14-19-10-12-20(13-11-19)16-4-2-1-3-5-16/h1-9,17,21H,10-14H2
InChIKeyGJGCCLWHKBPPIJ-UHFFFAOYSA-N
XLogP1.94
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol (CID 3044998) is 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol is OC(CN1CCN(c2ccccc2)CC1)c1ccncc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol?
The InChIKey is GJGCCLWHKBPPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(15-6-8-18-9-7-15)14-19-10-12-20(13-11-19)16-4-2-1-3-5-16/h1-9,17,21H,10-14H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol?
2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol has a molecular weight of 283.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 3044998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).