2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile

C14H18FN3O — CID 84757087

IUPAC2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(CCO)CC1
InChIInChI=1S/C14H18FN3O/c15-13-4-2-1-3-12(13)14(11-16)18-7-5-17(6-8-18)9-10-19/h1-4,14,19H,5-10H2
InChIKeyNMYVHHGZQGNODK-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.00
Rot. Bonds4

About 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile

2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile (PubChem CID 84757087) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile
PubChem CID84757087
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(CCO)CC1
InChIInChI=1S/C14H18FN3O/c15-13-4-2-1-3-12(13)14(11-16)18-7-5-17(6-8-18)9-10-19/h1-4,14,19H,5-10H2
InChIKeyNMYVHHGZQGNODK-UHFFFAOYSA-N
XLogP1.00
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile (CID 84757087) is 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile is N#CC(c1ccccc1F)N1CCN(CCO)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile?
The InChIKey is NMYVHHGZQGNODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-13-4-2-1-3-12(13)14(11-16)18-7-5-17(6-8-18)9-10-19/h1-4,14,19H,5-10H2.
What are the key properties of 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile?
2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile has a molecular weight of 263.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 84757087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).