2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile

C14H26N2O2 — CID 101492699

IUPAC2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile
SMILESCOC1CC(C)(C)N(OC(C)(C)C#N)C(C)(C)C1
InChIInChI=1S/C14H26N2O2/c1-12(2)8-11(17-7)9-13(3,4)16(12)18-14(5,6)10-15/h11H,8-9H2,1-7H3
InChIKeyRDATZOBRMSNCKB-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile

2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile (PubChem CID 101492699) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile
PubChem CID101492699
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile
SMILESCOC1CC(C)(C)N(OC(C)(C)C#N)C(C)(C)C1
InChIInChI=1S/C14H26N2O2/c1-12(2)8-11(17-7)9-13(3,4)16(12)18-14(5,6)10-15/h11H,8-9H2,1-7H3
InChIKeyRDATZOBRMSNCKB-UHFFFAOYSA-N
XLogP2.89
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 23049577
[dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate
CID 58418976
2-(4-tert-butyl-2,2,6,6-tetraethylpiperazin-1-yl)oxy-2-methylpropanenitrile
CID 141003769
1-amino-3-methoxycyclobutane-1-carbonitrile
CID 106822374
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
CID 130667119
2,2,6,6-tetramethyl-1-(2-methylpent-4-en-2-yloxy)piperidin-4-ol
CID 25229263
2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile
CID 106824751
bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 20576509
2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile
CID 123958706
1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 15851918
10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
CID 22255858

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile?
The IUPAC name of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile (CID 101492699) is 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile?
The canonical SMILES for 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile is COC1CC(C)(C)N(OC(C)(C)C#N)C(C)(C)C1.
What is the InChIKey of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile?
The InChIKey is RDATZOBRMSNCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)8-11(17-7)9-13(3,4)16(12)18-14(5,6)10-15/h11H,8-9H2,1-7H3.
What are the key properties of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile?
2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile has a molecular weight of 254.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanenitrile is sourced from PubChem (CID 101492699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).