1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile

C12H21N3O — CID 138497041

IUPAC1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile
SMILESC=NC1(C#N)CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C12H21N3O/c1-10(2)7-12(9-13,14-5)8-11(3,4)15(10)16-6/h5,7-8H2,1-4,6H3
InChIKeyIWSBRKBKOHANDX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds2

About 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile

1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile (PubChem CID 138497041) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile
PubChem CID138497041
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile
SMILESC=NC1(C#N)CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C12H21N3O/c1-10(2)7-12(9-13,14-5)8-11(3,4)15(10)16-6/h5,7-8H2,1-4,6H3
InChIKeyIWSBRKBKOHANDX-UHFFFAOYSA-N
XLogP2.16
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile?
The IUPAC name of 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile (CID 138497041) is 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile is C=NC1(C#N)CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile?
The InChIKey is IWSBRKBKOHANDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)7-12(9-13,14-5)8-11(3,4)15(10)16-6/h5,7-8H2,1-4,6H3.
What are the key properties of 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile?
1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile has a molecular weight of 223.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,6,6-tetramethyl-4-(methylideneamino)piperidine-4-carbonitrile is sourced from PubChem (CID 138497041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).