2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile

C18H20N4O — CID 56811258

IUPAC2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H20N4O/c19-13-15-6-7-20-18(12-15)22-10-8-21(9-11-22)14-17(23)16-4-2-1-3-5-16/h1-7,12,17,23H,8-11,14H2
InChIKeyTVBOVNAQCVCLNT-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.81
Rot. Bonds4

About 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 56811258) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID56811258
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H20N4O/c19-13-15-6-7-20-18(12-15)22-10-8-21(9-11-22)14-17(23)16-4-2-1-3-5-16/h1-7,12,17,23H,8-11,14H2
InChIKeyTVBOVNAQCVCLNT-UHFFFAOYSA-N
XLogP1.81
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 56811258) is 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(CC(O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is TVBOVNAQCVCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-13-15-6-7-20-18(12-15)22-10-8-21(9-11-22)14-17(23)16-4-2-1-3-5-16/h1-7,12,17,23H,8-11,14H2.
What are the key properties of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56811258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).