1-(2-methoxyethyl)piperidine-4-carbonitrile

C9H16N2O — CID 39236243

IUPAC1-(2-methoxyethyl)piperidine-4-carbonitrile
SMILESCOCCN1CCC(C#N)CC1
InChIInChI=1S/C9H16N2O/c1-12-7-6-11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3
InChIKeyLDTPFKDDGGOITL-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.87
Rot. Bonds3

About 1-(2-methoxyethyl)piperidine-4-carbonitrile

1-(2-methoxyethyl)piperidine-4-carbonitrile (PubChem CID 39236243) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)piperidine-4-carbonitrile
PubChem CID39236243
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-methoxyethyl)piperidine-4-carbonitrile
SMILESCOCCN1CCC(C#N)CC1
InChIInChI=1S/C9H16N2O/c1-12-7-6-11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3
InChIKeyLDTPFKDDGGOITL-UHFFFAOYSA-N
XLogP0.87
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)piperidine-4-carbonitrile (CID 39236243) is 1-(2-methoxyethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)piperidine-4-carbonitrile is COCCN1CCC(C#N)CC1.
What is the InChIKey of 1-(2-methoxyethyl)piperidine-4-carbonitrile?
The InChIKey is LDTPFKDDGGOITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-12-7-6-11-4-2-9(8-10)3-5-11/h9H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)piperidine-4-carbonitrile?
1-(2-methoxyethyl)piperidine-4-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 39236243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).