1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile

C16H22N2O — CID 117021196

IUPAC1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile
SMILESCCOc1ccccc1N1CC(C#N)CCC1(C)C
InChIInChI=1S/C16H22N2O/c1-4-19-15-8-6-5-7-14(15)18-12-13(11-17)9-10-16(18,2)3/h5-8,13H,4,9-10,12H2,1-3H3
InChIKeyNJXZHAUPGHBJGK-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.60
Rot. Bonds3

About 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile

1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile (PubChem CID 117021196) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile
PubChem CID117021196
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile
SMILESCCOc1ccccc1N1CC(C#N)CCC1(C)C
InChIInChI=1S/C16H22N2O/c1-4-19-15-8-6-5-7-14(15)18-12-13(11-17)9-10-16(18,2)3/h5-8,13H,4,9-10,12H2,1-3H3
InChIKeyNJXZHAUPGHBJGK-UHFFFAOYSA-N
XLogP3.60
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine
CID 117021543
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017964
1-(2-ethoxyphenyl)-2,2-dimethyl-1,5-diazocane
CID 117014837
1-benzyl-6,6-dimethylpiperidine-3-carbonitrile
CID 117021153
6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile
CID 117021180
2-[1-(2-methoxyphenyl)-6,6-dimethylpiperidin-3-yl]ethanol
CID 117021351
2-[5-(cyanomethyl)-2,2-dimethylpiperidin-1-yl]benzonitrile
CID 117021420
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 97436786
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile?
The IUPAC name of 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile (CID 117021196) is 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile?
The canonical SMILES for 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile is CCOc1ccccc1N1CC(C#N)CCC1(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile?
The InChIKey is NJXZHAUPGHBJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-19-15-8-6-5-7-14(15)18-12-13(11-17)9-10-16(18,2)3/h5-8,13H,4,9-10,12H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile?
1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile has a molecular weight of 258.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 117021196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).