3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile

C19H28N2O2 — CID 101430935

IUPAC3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile
SMILESCOc1ccc(CC(C#N)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H28N2O2/c1-18(2)11-6-12-19(3,4)21(18)23-17(14-20)13-15-7-9-16(22-5)10-8-15/h7-10,17H,6,11-13H2,1-5H3
InChIKeySNGAOZCFPRWZTC-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.10
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile

3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile (PubChem CID 101430935) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile
PubChem CID101430935
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile
SMILESCOc1ccc(CC(C#N)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H28N2O2/c1-18(2)11-6-12-19(3,4)21(18)23-17(14-20)13-15-7-9-16(22-5)10-8-15/h7-10,17H,6,11-13H2,1-5H3
InChIKeySNGAOZCFPRWZTC-UHFFFAOYSA-N
XLogP4.10
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Butan-2-ylpiperidin-4-yl)oxybenzonitrile
CID 9965041
4-Cyano-4-(4-isopropoxy-phenyl)-1,1-dimethyl-piperidinium
CID 12004686
4-Cyano-4-(4-methoxy-phenyl)-1,1-dimethyl-piperidinium
CID 11957315
4-(4-Methoxy-phenyl)-1-methyl-piperidine-4-carbonitrile
CID 12004556
4-[4-(4-Methoxyphenyl)piperidin-1-yl]butanenitrile
CID 71985481
4-(4-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
CID 919231
2,2,6,6-Tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine
CID 162409714
4-(4-Methoxyphenyl)-1,1-dimethylpiperidin-1-ium-4-carbonitrile
CID 826411
4-(4-Ethoxyphenyl)-1,1-dimethylpiperidin-1-ium-4-carbonitrile
CID 826414
1,1-Dimethyl-4-(4-propan-2-yloxyphenyl)piperidin-1-ium-4-carbonitrile
CID 826416
(3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine
CID 158065138
(3S,4S)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine
CID 158065139

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile (CID 101430935) is 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile is COc1ccc(CC(C#N)ON2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile?
The InChIKey is SNGAOZCFPRWZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2)11-6-12-19(3,4)21(18)23-17(14-20)13-15-7-9-16(22-5)10-8-15/h7-10,17H,6,11-13H2,1-5H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile?
3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile has a molecular weight of 316.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile is sourced from PubChem (CID 101430935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).