3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile

C10H19N3 — CID 80554591

IUPAC3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
SMILESCN(CCC#N)CC1CCCNC1
InChIInChI=1S/C10H19N3/c1-13(7-3-5-11)9-10-4-2-6-12-8-10/h10,12H,2-4,6-9H2,1H3
InChIKeyXKUSJSHMQVWKCR-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.83
Rot. Bonds4

About 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile

3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile (PubChem CID 80554591) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
PubChem CID80554591
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
SMILESCN(CCC#N)CC1CCCNC1
InChIInChI=1S/C10H19N3/c1-13(7-3-5-11)9-10-4-2-6-12-8-10/h10,12H,2-4,6-9H2,1H3
InChIKeyXKUSJSHMQVWKCR-UHFFFAOYSA-N
XLogP0.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106636578
3-[2-methoxyethyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554321
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
CID 122555830
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209752
N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
CID 115741609
N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636675

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile (CID 80554591) is 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile is CN(CCC#N)CC1CCCNC1.
What is the InChIKey of 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile?
The InChIKey is XKUSJSHMQVWKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(7-3-5-11)9-10-4-2-6-12-8-10/h10,12H,2-4,6-9H2,1H3.
What are the key properties of 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile?
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 80554591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).