2-(4-methylpiperidin-3-yl)oxypropanenitrile

C9H16N2O — CID 102954081

IUPAC2-(4-methylpiperidin-3-yl)oxypropanenitrile
SMILESCC(C#N)OC1CNCCC1C
InChIInChI=1S/C9H16N2O/c1-7-3-4-11-6-9(7)12-8(2)5-10/h7-9,11H,3-4,6H2,1-2H3
InChIKeyQINLINKWRWZHNQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.91
Rot. Bonds2

About 2-(4-methylpiperidin-3-yl)oxypropanenitrile

2-(4-methylpiperidin-3-yl)oxypropanenitrile (PubChem CID 102954081) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-methylpiperidin-3-yl)oxypropanenitrile.

Molecular Properties

Compound Name2-(4-methylpiperidin-3-yl)oxypropanenitrile
PubChem CID102954081
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(4-methylpiperidin-3-yl)oxypropanenitrile
SMILESCC(C#N)OC1CNCCC1C
InChIInChI=1S/C9H16N2O/c1-7-3-4-11-6-9(7)12-8(2)5-10/h7-9,11H,3-4,6H2,1-2H3
InChIKeyQINLINKWRWZHNQ-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(4-methylpiperidin-3-yl)oxypropanamide
CID 102954176
2-(4-methylpiperidin-3-yl)oxy-N-propan-2-ylpropanamide
CID 102954272
N-carbamoyl-2-(4-methylpiperidin-3-yl)oxypropanamide
CID 106939208
2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile
CID 102954293
6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
CID 102954442
(4-methylpiperidin-3-yl) N-propan-2-ylcarbamate
CID 102954801
1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
CID 106941145
2-[2-(4-methylpiperidin-3-yl)oxyethoxy]ethanol
CID 106939216
2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile
CID 102954720
3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
CID 102954054
4-methyl-3-octoxypiperidine
CID 102954063
4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 106939218

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-3-yl)oxypropanenitrile?
The IUPAC name of 2-(4-methylpiperidin-3-yl)oxypropanenitrile (CID 102954081) is 2-(4-methylpiperidin-3-yl)oxypropanenitrile.
What is the SMILES notation for 2-(4-methylpiperidin-3-yl)oxypropanenitrile?
The canonical SMILES for 2-(4-methylpiperidin-3-yl)oxypropanenitrile is CC(C#N)OC1CNCCC1C.
What is the InChIKey of 2-(4-methylpiperidin-3-yl)oxypropanenitrile?
The InChIKey is QINLINKWRWZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-3-4-11-6-9(7)12-8(2)5-10/h7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-3-yl)oxypropanenitrile?
2-(4-methylpiperidin-3-yl)oxypropanenitrile has a molecular weight of 168.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-3-yl)oxypropanenitrile is sourced from PubChem (CID 102954081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).