3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile

C12H23N3 — CID 79717053

IUPAC3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC1CCNCC1
InChIInChI=1S/C12H23N3/c1-3-15(9-11(2)8-13)10-12-4-6-14-7-5-12/h11-12,14H,3-7,9-10H2,1-2H3
InChIKeyJNMYWAPWTHRSOH-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.47
Rot. Bonds5

About 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile

3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile (PubChem CID 79717053) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile
PubChem CID79717053
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC1CCNCC1
InChIInChI=1S/C12H23N3/c1-3-15(9-11(2)8-13)10-12-4-6-14-7-5-12/h11-12,14H,3-7,9-10H2,1-2H3
InChIKeyJNMYWAPWTHRSOH-UHFFFAOYSA-N
XLogP1.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106632376
2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
CID 79717369
1-[ethyl(piperidin-4-ylmethyl)amino]-3-methoxypropan-2-ol
CID 79716413
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62300646
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
2-[piperidin-4-ylmethyl(propyl)amino]butanenitrile
CID 79714214

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile (CID 79717053) is 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)CC1CCNCC1.
What is the InChIKey of 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile?
The InChIKey is JNMYWAPWTHRSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-15(9-11(2)8-13)10-12-4-6-14-7-5-12/h11-12,14H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile?
3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 79717053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).