3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile

C15H20N2O — CID 107107531

IUPAC3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
SMILESCc1cccc(C#N)c1OCCN1CCCCC1
InChIInChI=1S/C15H20N2O/c1-13-6-5-7-14(12-16)15(13)18-11-10-17-8-3-2-4-9-17/h5-7H,2-4,8-11H2,1H3
InChIKeyYZHCJZWQJQDXIW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds4

About 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile

3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile (PubChem CID 107107531) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile.

Molecular Properties

Compound Name3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
PubChem CID107107531
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
SMILESCc1cccc(C#N)c1OCCN1CCCCC1
InChIInChI=1S/C15H20N2O/c1-13-6-5-7-14(12-16)15(13)18-11-10-17-8-3-2-4-9-17/h5-7H,2-4,8-11H2,1H3
InChIKeyYZHCJZWQJQDXIW-UHFFFAOYSA-N
XLogP2.73
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553
4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
CID 61103455
2-[2-(azepan-1-yl)ethylamino]-3-methylbenzonitrile
CID 107111117
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
CID 103760393
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
2-(2,2-difluoroethoxy)-3-methylbenzonitrile
CID 107107597

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile?
The IUPAC name of 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile (CID 107107531) is 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile.
What is the SMILES notation for 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile?
The canonical SMILES for 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile is Cc1cccc(C#N)c1OCCN1CCCCC1.
What is the InChIKey of 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile?
The InChIKey is YZHCJZWQJQDXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-13-6-5-7-14(12-16)15(13)18-11-10-17-8-3-2-4-9-17/h5-7H,2-4,8-11H2,1H3.
What are the key properties of 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile?
3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile is sourced from PubChem (CID 107107531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).