4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile

C15H20N2O — CID 81281915

IUPAC4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile
SMILESCCOC1CCCN(c2ccc(C#N)c(C)c2)C1
InChIInChI=1S/C15H20N2O/c1-3-18-15-5-4-8-17(11-15)14-7-6-13(10-16)12(2)9-14/h6-7,9,15H,3-5,8,11H2,1-2H3
InChIKeyBEYZCBWNKKKAKL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.87
Rot. Bonds3

About 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile

4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile (PubChem CID 81281915) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile
PubChem CID81281915
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile
SMILESCCOC1CCCN(c2ccc(C#N)c(C)c2)C1
InChIInChI=1S/C15H20N2O/c1-3-18-15-5-4-8-17(11-15)14-7-6-13(10-16)12(2)9-14/h6-7,9,15H,3-5,8,11H2,1-2H3
InChIKeyBEYZCBWNKKKAKL-UHFFFAOYSA-N
XLogP2.87
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethoxypiperidin-1-yl)-2-nitrobenzonitrile
CID 115349374
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine
CID 63817795
2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile
CID 102624103
4-(azetidin-1-yl)-2-methylbenzonitrile
CID 126980528
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63815162
2-methyl-4-(4-propylazepan-1-yl)benzonitrile
CID 81282500
4-(azocan-1-yl)-2-methylbenzonitrile
CID 79019375
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
CID 80510417
4-methyl-2-(3-propoxypiperidin-1-yl)benzonitrile
CID 55056789
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
CID 81282003
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbenzonitrile
CID 81282499

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile (CID 81281915) is 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile is CCOC1CCCN(c2ccc(C#N)c(C)c2)C1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile?
The InChIKey is BEYZCBWNKKKAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-18-15-5-4-8-17(11-15)14-7-6-13(10-16)12(2)9-14/h6-7,9,15H,3-5,8,11H2,1-2H3.
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile?
4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile is sourced from PubChem (CID 81281915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).