2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile

C14H18N2O — CID 102954720

IUPAC2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile
SMILESCc1cc(OC2CNCCC2C)ccc1C#N
InChIInChI=1S/C14H18N2O/c1-10-5-6-16-9-14(10)17-13-4-3-12(8-15)11(2)7-13/h3-4,7,10,14,16H,5-6,9H2,1-2H3
InChIKeyFSFRLUBMNNSUTN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.24
Rot. Bonds2

About 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile

2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile (PubChem CID 102954720) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile
PubChem CID102954720
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile
SMILESCc1cc(OC2CNCCC2C)ccc1C#N
InChIInChI=1S/C14H18N2O/c1-10-5-6-16-9-14(10)17-13-4-3-12(8-15)11(2)7-13/h3-4,7,10,14,16H,5-6,9H2,1-2H3
InChIKeyFSFRLUBMNNSUTN-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
CID 102954442
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
2-fluoro-4-pyrrolidin-3-yloxybenzonitrile
CID 107923350
2-fluoro-4-[(3S)-pyrrolidin-3-yl]oxybenzonitrile
CID 107923342
6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile
CID 103473371
2-methyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]benzonitrile
CID 81282616
4-(4,4-dimethyl-2-oxopyrrolidin-3-yl)oxy-2-methylbenzonitrile
CID 143322717
4-(3-cyano-5-methoxyphenoxy)-2-methylbenzonitrile
CID 103566752
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
3-(2,4-dinitrophenoxy)-4-methylpiperidine
CID 102954668
4-(azetidin-2-yl)-2-methylbenzonitrile
CID 55282910
2-fluoro-4-[(3R)-piperidin-3-yl]oxybenzonitrile
CID 86333460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile?
The IUPAC name of 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile (CID 102954720) is 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile.
What is the SMILES notation for 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile?
The canonical SMILES for 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile is Cc1cc(OC2CNCCC2C)ccc1C#N.
What is the InChIKey of 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile?
The InChIKey is FSFRLUBMNNSUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-6-16-9-14(10)17-13-4-3-12(8-15)11(2)7-13/h3-4,7,10,14,16H,5-6,9H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile?
2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile is sourced from PubChem (CID 102954720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).