1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile

C14H19N3O2 — CID 79085566

IUPAC1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile
SMILESCOc1ccccc1OCCN1CCNCC1C#N
InChIInChI=1S/C14H19N3O2/c1-18-13-4-2-3-5-14(13)19-9-8-17-7-6-16-11-12(17)10-15/h2-5,12,16H,6-9,11H2,1H3
InChIKeyTWGMOKWJBMILHN-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.87
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile

1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile (PubChem CID 79085566) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile
PubChem CID79085566
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile
SMILESCOc1ccccc1OCCN1CCNCC1C#N
InChIInChI=1S/C14H19N3O2/c1-18-13-4-2-3-5-14(13)19-9-8-17-7-6-16-11-12(17)10-15/h2-5,12,16H,6-9,11H2,1H3
InChIKeyTWGMOKWJBMILHN-UHFFFAOYSA-N
XLogP0.87
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile
CID 79085130
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-(3-phenoxypropyl)piperazine-2-carbonitrile
CID 79085976
1-[2-(4-tert-butylphenoxy)ethyl]piperazine-2-carbonitrile
CID 79094837
1-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79085542
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazine-2-carbonitrile
CID 103173617
1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile
CID 79086405
2-[2-(2-methoxyphenoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095390
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79085242
1-[(5-acetyl-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79086081
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile (CID 79085566) is 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile is COc1ccccc1OCCN1CCNCC1C#N.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile?
The InChIKey is TWGMOKWJBMILHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-13-4-2-3-5-14(13)19-9-8-17-7-6-16-11-12(17)10-15/h2-5,12,16H,6-9,11H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile?
1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).