2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol

C19H25N3O — CID 24784658

IUPAC2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(CCc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O/c23-19(18-7-4-9-20-15-18)16-22-13-11-21(12-14-22)10-8-17-5-2-1-3-6-17/h1-7,9,15,19,23H,8,10-14,16H2
InChIKeyCTBNLHFXMNLQNE-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.98
Rot. Bonds6

About 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol

2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol (PubChem CID 24784658) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol
PubChem CID24784658
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(CCc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O/c23-19(18-7-4-9-20-15-18)16-22-13-11-21(12-14-22)10-8-17-5-2-1-3-6-17/h1-7,9,15,19,23H,8,10-14,16H2
InChIKeyCTBNLHFXMNLQNE-UHFFFAOYSA-N
XLogP1.98
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol (CID 24784658) is 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol is OC(CN1CCN(CCc2ccccc2)CC1)c1cccnc1.
What is the InChIKey of 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The InChIKey is CTBNLHFXMNLQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19(18-7-4-9-20-15-18)16-22-13-11-21(12-14-22)10-8-17-5-2-1-3-6-17/h1-7,9,15,19,23H,8,10-14,16H2.
What are the key properties of 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol has a molecular weight of 311.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 24784658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).