2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile

C20H22N2O — CID 23339372

IUPAC2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C20H22N2O/c21-15-17-5-1-2-7-20(17)23-19-12-9-16(10-13-19)8-11-18-6-3-4-14-22-18/h1-2,5,7,9-10,12-13,18,22H,3-4,6,8,11,14H2
InChIKeySESPZXQEGXNNKP-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.43
Rot. Bonds5

About 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile

2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile (PubChem CID 23339372) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile
PubChem CID23339372
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C20H22N2O/c21-15-17-5-1-2-7-20(17)23-19-12-9-16(10-13-19)8-11-18-6-3-4-14-22-18/h1-2,5,7,9-10,12-13,18,22H,3-4,6,8,11,14H2
InChIKeySESPZXQEGXNNKP-UHFFFAOYSA-N
XLogP4.43
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
CID 23339104
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride
CID 46736942
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
2-(2-pyridin-4-ylethyl)azepane
CID 104703875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile?
The IUPAC name of 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile (CID 23339372) is 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile is N#Cc1ccccc1Oc1ccc(CCC2CCCCN2)cc1.
What is the InChIKey of 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile?
The InChIKey is SESPZXQEGXNNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c21-15-17-5-1-2-7-20(17)23-19-12-9-16(10-13-19)8-11-18-6-3-4-14-22-18/h1-2,5,7,9-10,12-13,18,22H,3-4,6,8,11,14H2.
What are the key properties of 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile?
2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile has a molecular weight of 306.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile is sourced from PubChem (CID 23339372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).