4-(fluoromethyl)-4-isocyano-1-methylpiperidine

C8H13FN2 — CID 84763743

IUPAC4-(fluoromethyl)-4-isocyano-1-methylpiperidine
SMILES[C-]#[N+]C1(CF)CCN(C)CC1
InChIInChI=1S/C8H13FN2/c1-10-8(7-9)3-5-11(2)6-4-8/h3-7H2,2H3
InChIKeyOZUAORFQYHANRL-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.34
Rot. Bonds1

About 4-(fluoromethyl)-4-isocyano-1-methylpiperidine

4-(fluoromethyl)-4-isocyano-1-methylpiperidine (PubChem CID 84763743) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-isocyano-1-methylpiperidine.

Molecular Properties

Compound Name4-(fluoromethyl)-4-isocyano-1-methylpiperidine
PubChem CID84763743
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name4-(fluoromethyl)-4-isocyano-1-methylpiperidine
SMILES[C-]#[N+]C1(CF)CCN(C)CC1
InChIInChI=1S/C8H13FN2/c1-10-8(7-9)3-5-11(2)6-4-8/h3-7H2,2H3
InChIKeyOZUAORFQYHANRL-UHFFFAOYSA-N
XLogP1.34
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.34
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

1-Tert-butyl-4-fluoro-4-methylpiperidine
CID 59515434
1-Tert-butyl-4-ethyl-4-fluoropiperidine
CID 66981419
1-Tert-butyl-4-(fluoromethyl)piperidine
CID 67505671
3-Fluoro-1-(2-methylbutan-2-yl)piperidine
CID 68257526
1-(1-Fluoro-2-methylpropan-2-yl)-4-methylpiperidine
CID 68260639
(1-Tert-butyl-4-fluoropiperidin-4-yl)methanamine
CID 68272026
4-(Fluoromethyl)-1-methylpiperidin-4-amine
CID 84762966
1-Tert-butyl-4-fluoropiperidine-4-carbonitrile
CID 89408499
3-Fluoro-1,4-dimethylpiperidin-4-amine
CID 105428951
4-(Fluoromethyl)-1-propan-2-ylpiperidin-4-amine
CID 115014377
1-Tert-butyl-4-(fluoromethyl)piperidin-4-amine
CID 115017655
(3R,4S)-1-tert-butyl-3-fluoro-4-methylpiperidine
CID 117787784

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-isocyano-1-methylpiperidine?
The IUPAC name of 4-(fluoromethyl)-4-isocyano-1-methylpiperidine (CID 84763743) is 4-(fluoromethyl)-4-isocyano-1-methylpiperidine.
What is the SMILES notation for 4-(fluoromethyl)-4-isocyano-1-methylpiperidine?
The canonical SMILES for 4-(fluoromethyl)-4-isocyano-1-methylpiperidine is [C-]#[N+]C1(CF)CCN(C)CC1.
What is the InChIKey of 4-(fluoromethyl)-4-isocyano-1-methylpiperidine?
The InChIKey is OZUAORFQYHANRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-10-8(7-9)3-5-11(2)6-4-8/h3-7H2,2H3.
What are the key properties of 4-(fluoromethyl)-4-isocyano-1-methylpiperidine?
4-(fluoromethyl)-4-isocyano-1-methylpiperidine has a molecular weight of 156.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-isocyano-1-methylpiperidine is sourced from PubChem (CID 84763743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).