(6R)-4-fluoro-6-methylpiperidine-3-carbonitrile

C7H11FN2 — CID 155003801

IUPAC(6R)-4-fluoro-6-methylpiperidine-3-carbonitrile
SMILESC[C@@H]1CC(F)C(C#N)CN1
InChIInChI=1S/C7H11FN2/c1-5-2-7(8)6(3-9)4-10-5/h5-7,10H,2,4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyWYDDQNCIRJPPRL-GRQBKTHUSA-N
MW142.18 g/mol
LogP0.85
Rot. Bonds

About (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile

(6R)-4-fluoro-6-methylpiperidine-3-carbonitrile (PubChem CID 155003801) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(6R)-4-fluoro-6-methylpiperidine-3-carbonitrile
PubChem CID155003801
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(6R)-4-fluoro-6-methylpiperidine-3-carbonitrile
SMILESC[C@@H]1CC(F)C(C#N)CN1
InChIInChI=1S/C7H11FN2/c1-5-2-7(8)6(3-9)4-10-5/h5-7,10H,2,4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyWYDDQNCIRJPPRL-GRQBKTHUSA-N
XLogP0.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile?
The IUPAC name of (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile (CID 155003801) is (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile.
What is the SMILES notation for (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile?
The canonical SMILES for (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile is C[C@@H]1CC(F)C(C#N)CN1.
What is the InChIKey of (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile?
The InChIKey is WYDDQNCIRJPPRL-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5-2-7(8)6(3-9)4-10-5/h5-7,10H,2,4H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile?
(6R)-4-fluoro-6-methylpiperidine-3-carbonitrile has a molecular weight of 142.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-fluoro-6-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 155003801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).