4-isocyano-1,4-dimethylpiperidine

C8H14N2 — CID 21054645

IUPAC4-isocyano-1,4-dimethylpiperidine
SMILES[C-]#[N+]C1(C)CCN(C)CC1
InChIInChI=1S/C8H14N2/c1-8(9-2)4-6-10(3)7-5-8/h4-7H2,1,3H3
InChIKeyAYZREBPYRKNOBN-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.39
Rot. Bonds

About 4-isocyano-1,4-dimethylpiperidine

4-isocyano-1,4-dimethylpiperidine (PubChem CID 21054645) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-isocyano-1,4-dimethylpiperidine.

Molecular Properties

Compound Name4-isocyano-1,4-dimethylpiperidine
PubChem CID21054645
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-isocyano-1,4-dimethylpiperidine
SMILES[C-]#[N+]C1(C)CCN(C)CC1
InChIInChI=1S/C8H14N2/c1-8(9-2)4-6-10(3)7-5-8/h4-7H2,1,3H3
InChIKeyAYZREBPYRKNOBN-UHFFFAOYSA-N
XLogP1.39
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 4-isocyano-1,4-dimethylpiperidine?
The IUPAC name of 4-isocyano-1,4-dimethylpiperidine (CID 21054645) is 4-isocyano-1,4-dimethylpiperidine.
What is the SMILES notation for 4-isocyano-1,4-dimethylpiperidine?
The canonical SMILES for 4-isocyano-1,4-dimethylpiperidine is [C-]#[N+]C1(C)CCN(C)CC1.
What is the InChIKey of 4-isocyano-1,4-dimethylpiperidine?
The InChIKey is AYZREBPYRKNOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(9-2)4-6-10(3)7-5-8/h4-7H2,1,3H3.
What are the key properties of 4-isocyano-1,4-dimethylpiperidine?
4-isocyano-1,4-dimethylpiperidine has a molecular weight of 138.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-1,4-dimethylpiperidine is sourced from PubChem (CID 21054645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).