1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile

C12H21N3O — CID 39246137

IUPAC1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C12H21N3O/c13-11-12-1-3-14(4-2-12)5-6-15-7-9-16-10-8-15/h12H,1-10H2
InChIKeySIDMMSRHRSWMHO-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile

1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile (PubChem CID 39246137) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile
PubChem CID39246137
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C12H21N3O/c13-11-12-1-3-14(4-2-12)5-6-15-7-9-16-10-8-15/h12H,1-10H2
InChIKeySIDMMSRHRSWMHO-UHFFFAOYSA-N
XLogP0.55
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile (CID 39246137) is 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile is N#CC1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
The InChIKey is SIDMMSRHRSWMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-11-12-1-3-14(4-2-12)5-6-15-7-9-16-10-8-15/h12H,1-10H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile has a molecular weight of 223.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 39246137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).