1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile

C13H20N4O — CID 77088258

IUPAC1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile
SMILESCOCCn1ccnc1CN1CCC(C#N)CC1
InChIInChI=1S/C13H20N4O/c1-18-9-8-17-7-4-15-13(17)11-16-5-2-12(10-14)3-6-16/h4,7,12H,2-3,5-6,8-9,11H2,1H3
InChIKeyMCORBOSFWWIJHU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.27
Rot. Bonds5

About 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile

1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile (PubChem CID 77088258) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile
PubChem CID77088258
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile
SMILESCOCCn1ccnc1CN1CCC(C#N)CC1
InChIInChI=1S/C13H20N4O/c1-18-9-8-17-7-4-15-13(17)11-16-5-2-12(10-14)3-6-16/h4,7,12H,2-3,5-6,8-9,11H2,1H3
InChIKeyMCORBOSFWWIJHU-UHFFFAOYSA-N
XLogP1.27
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile (CID 77088258) is 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile is COCCn1ccnc1CN1CCC(C#N)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile?
The InChIKey is MCORBOSFWWIJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-9-8-17-7-4-15-13(17)11-16-5-2-12(10-14)3-6-16/h4,7,12H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile?
1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 77088258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).