2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile

C11H21N3 — CID 79717369

IUPAC2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
SMILESCCN(CC1CCNCC1)C(C)C#N
InChIInChI=1S/C11H21N3/c1-3-14(10(2)8-12)9-11-4-6-13-7-5-11/h10-11,13H,3-7,9H2,1-2H3
InChIKeyJKGUZUJFUSAAIM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.22
Rot. Bonds4

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

2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile (PubChem CID 79717369) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
PubChem CID79717369
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
SMILESCCN(CC1CCNCC1)C(C)C#N
InChIInChI=1S/C11H21N3/c1-3-14(10(2)8-12)9-11-4-6-13-7-5-11/h10-11,13H,3-7,9H2,1-2H3
InChIKeyJKGUZUJFUSAAIM-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile
CID 79717053
1-cyclopentyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79715112
2-[piperidin-4-ylmethyl(propyl)amino]butanenitrile
CID 79714214
N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine
CID 79716038
N,N-diethyl-1-piperidin-4-ylpropan-2-amine
CID 105451801
N,N-diethyl-1-pyrrolidin-3-ylpropan-2-amine
CID 105441385
2-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 79716141
N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 79697768
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 79717240

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile?
The IUPAC name of 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile (CID 79717369) is 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile?
The canonical SMILES for 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile is CCN(CC1CCNCC1)C(C)C#N.
What is the InChIKey of 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile?
The InChIKey is JKGUZUJFUSAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-14(10(2)8-12)9-11-4-6-13-7-5-11/h10-11,13H,3-7,9H2,1-2H3.
What are the key properties of 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile?
2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 79717369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).