4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile

C15H20N2O2 — CID 115647831

IUPAC4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H20N2O2/c16-11-13-1-3-15(4-2-13)19-10-8-17-7-5-14(12-17)6-9-18/h1-4,14,18H,5-10,12H2
InChIKeyMHFBICMTQFRUQW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds6

About 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile

4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile (PubChem CID 115647831) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
PubChem CID115647831
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H20N2O2/c16-11-13-1-3-15(4-2-13)19-10-8-17-7-5-14(12-17)6-9-18/h1-4,14,18H,5-10,12H2
InChIKeyMHFBICMTQFRUQW-UHFFFAOYSA-N
XLogP1.64
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 114797845
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
4-[3-(3-aminopyrrolidin-1-yl)propoxy]benzonitrile
CID 67132046
4-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethoxy]benzonitrile
CID 60543115
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145761
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
4-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethoxy]benzonitrile
CID 49235694
4-[4-[3-(3-hydroxypyrrolidin-1-yl)propoxy]phenyl]benzonitrile
CID 22994404
1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
CID 43213972
[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
CID 70421145

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile (CID 115647831) is 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile is N#Cc1ccc(OCCN2CCC(CCO)C2)cc1.
What is the InChIKey of 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile?
The InChIKey is MHFBICMTQFRUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-11-13-1-3-15(4-2-13)19-10-8-17-7-5-14(12-17)6-9-18/h1-4,14,18H,5-10,12H2.
What are the key properties of 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile?
4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 115647831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).