3-isocyano-1,3,4-trimethylpiperidine

C9H16N2 — CID 18685102

IUPAC3-isocyano-1,3,4-trimethylpiperidine
SMILES[C-]#[N+]C1(C)CN(C)CCC1C
InChIInChI=1S/C9H16N2/c1-8-5-6-11(4)7-9(8,2)10-3/h8H,5-7H2,1-2,4H3
InChIKeyLTPQBXSORKTRKS-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.64
Rot. Bonds

About 3-isocyano-1,3,4-trimethylpiperidine

3-isocyano-1,3,4-trimethylpiperidine (PubChem CID 18685102) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-isocyano-1,3,4-trimethylpiperidine.

Molecular Properties

Compound Name3-isocyano-1,3,4-trimethylpiperidine
PubChem CID18685102
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-isocyano-1,3,4-trimethylpiperidine
SMILES[C-]#[N+]C1(C)CN(C)CCC1C
InChIInChI=1S/C9H16N2/c1-8-5-6-11(4)7-9(8,2)10-3/h8H,5-7H2,1-2,4H3
InChIKeyLTPQBXSORKTRKS-UHFFFAOYSA-N
XLogP1.64
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 24693214
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
2-Methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 24697345
2-Methyl-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 6484219
1,4-Ditert-butylpiperidine
CID 12722194
1,2,2,3-Tetramethylpiperidine
CID 18761772
Tetramethylpiperidine hydrobromide
CID 129760489
1-(1-Fluoro-2-methylpropan-2-yl)-4-propan-2-ylpiperidine
CID 58395269
1-Tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 146490684
(3R,4S)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 167278618
(3R,4R)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 167278620
(3S,4S)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 177072811

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-1,3,4-trimethylpiperidine?
The IUPAC name of 3-isocyano-1,3,4-trimethylpiperidine (CID 18685102) is 3-isocyano-1,3,4-trimethylpiperidine.
What is the SMILES notation for 3-isocyano-1,3,4-trimethylpiperidine?
The canonical SMILES for 3-isocyano-1,3,4-trimethylpiperidine is [C-]#[N+]C1(C)CN(C)CCC1C.
What is the InChIKey of 3-isocyano-1,3,4-trimethylpiperidine?
The InChIKey is LTPQBXSORKTRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-6-11(4)7-9(8,2)10-3/h8H,5-7H2,1-2,4H3.
What are the key properties of 3-isocyano-1,3,4-trimethylpiperidine?
3-isocyano-1,3,4-trimethylpiperidine has a molecular weight of 152.24 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-1,3,4-trimethylpiperidine is sourced from PubChem (CID 18685102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).