1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile

C16H22N2O2 — CID 39373253

IUPAC1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
SMILESCCOc1cccc(OCCN2CCC(C#N)CC2)c1
InChIInChI=1S/C16H22N2O2/c1-2-19-15-4-3-5-16(12-15)20-11-10-18-8-6-14(13-17)7-9-18/h3-5,12,14H,2,6-11H2,1H3
InChIKeyQAXHWRMRGQYJLV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds6

About 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile

1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile (PubChem CID 39373253) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
PubChem CID39373253
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
SMILESCCOc1cccc(OCCN2CCC(C#N)CC2)c1
InChIInChI=1S/C16H22N2O2/c1-2-19-15-4-3-5-16(12-15)20-11-10-18-8-6-14(13-17)7-9-18/h3-5,12,14H,2,6-11H2,1H3
InChIKeyQAXHWRMRGQYJLV-UHFFFAOYSA-N
XLogP2.70
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359835
1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39420280
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
CID 50956772
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
3-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzonitrile
CID 79084884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile (CID 39373253) is 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile is CCOc1cccc(OCCN2CCC(C#N)CC2)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile?
The InChIKey is QAXHWRMRGQYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-19-15-4-3-5-16(12-15)20-11-10-18-8-6-14(13-17)7-9-18/h3-5,12,14H,2,6-11H2,1H3.
What are the key properties of 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile?
1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 39373253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).