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

C12H22N4O — CID 69208051

IUPAC4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C12H22N4O/c13-11-12(14)1-3-15(4-2-12)5-6-16-7-9-17-10-8-16/h1-10,14H2
InChIKeyNYHWQCWXTXCHJJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.36
Rot. Bonds3

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

4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile (PubChem CID 69208051) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile
PubChem CID69208051
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C12H22N4O/c13-11-12(14)1-3-15(4-2-12)5-6-16-7-9-17-10-8-16/h1-10,14H2
InChIKeyNYHWQCWXTXCHJJ-UHFFFAOYSA-N
XLogP-0.36
TPSA65.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile (CID 69208051) is 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile is N#CC1(N)CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
The InChIKey is NYHWQCWXTXCHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-11-12(14)1-3-15(4-2-12)5-6-16-7-9-17-10-8-16/h1-10,14H2.
What are the key properties of 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile?
4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile has a molecular weight of 238.33 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-morpholin-4-ylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 69208051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).