2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile

C12H23N3 — CID 62648155

IUPAC2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
SMILESCC(C#N)CNC(C)C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-10(8-13)9-14-11(2)12-4-6-15(3)7-5-12/h10-12,14H,4-7,9H2,1-3H3
InChIKeyGGBWSNDEJOFHKC-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.47
Rot. Bonds4

About 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile

2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile (PubChem CID 62648155) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
PubChem CID62648155
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
SMILESCC(C#N)CNC(C)C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-10(8-13)9-14-11(2)12-4-6-15(3)7-5-12/h10-12,14H,4-7,9H2,1-3H3
InChIKeyGGBWSNDEJOFHKC-UHFFFAOYSA-N
XLogP1.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
CID 66092706
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79351441
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine
CID 114415483
2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile
CID 142228000
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile (CID 62648155) is 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile is CC(C#N)CNC(C)C1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile?
The InChIKey is GGBWSNDEJOFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(8-13)9-14-11(2)12-4-6-15(3)7-5-12/h10-12,14H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile?
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile is sourced from PubChem (CID 62648155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).