3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile

C12H23N3O — CID 80554340

IUPAC3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCNCC1
InChIInChI=1S/C12H23N3O/c1-16-10-9-15(8-2-5-13)11-12-3-6-14-7-4-12/h12,14H,2-4,6-11H2,1H3
InChIKeyDCCBMPXXQYDSDB-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.85
Rot. Bonds7

About 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile

3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile (PubChem CID 80554340) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile
PubChem CID80554340
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCNCC1
InChIInChI=1S/C12H23N3O/c1-16-10-9-15(8-2-5-13)11-12-3-6-14-7-4-12/h12,14H,2-4,6-11H2,1H3
InChIKeyDCCBMPXXQYDSDB-UHFFFAOYSA-N
XLogP0.85
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554321
3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanenitrile
CID 63286499
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 103181619
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
CID 63285977
N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717113
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
CID 115513918

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile (CID 80554340) is 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile is COCCN(CCC#N)CC1CCNCC1.
What is the InChIKey of 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile?
The InChIKey is DCCBMPXXQYDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-16-10-9-15(8-2-5-13)11-12-3-6-14-7-4-12/h12,14H,2-4,6-11H2,1H3.
What are the key properties of 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile?
3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile has a molecular weight of 225.34 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 80554340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).