1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile

C16H22N2O — CID 39359827

IUPAC1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
SMILESCCc1ccccc1OCCN1CCC(C#N)CC1
InChIInChI=1S/C16H22N2O/c1-2-15-5-3-4-6-16(15)19-12-11-18-9-7-14(13-17)8-10-18/h3-6,14H,2,7-12H2,1H3
InChIKeyNDVNJOLEBMDVHJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.86
Rot. Bonds5

About 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile

1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile (PubChem CID 39359827) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
PubChem CID39359827
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
SMILESCCc1ccccc1OCCN1CCC(C#N)CC1
InChIInChI=1S/C16H22N2O/c1-2-15-5-3-4-6-16(15)19-12-11-18-9-7-14(13-17)8-10-18/h3-6,14H,2,7-12H2,1H3
InChIKeyNDVNJOLEBMDVHJ-UHFFFAOYSA-N
XLogP2.86
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
(3S,4S)-1-[2-(2-ethylphenoxy)ethyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135099672
1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
CID 39373253
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39382567
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809274
1-[2-(3,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359835
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile (CID 39359827) is 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile is CCc1ccccc1OCCN1CCC(C#N)CC1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile?
The InChIKey is NDVNJOLEBMDVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-15-5-3-4-6-16(15)19-12-11-18-9-7-14(13-17)8-10-18/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile?
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 39359827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).