(6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile

C8H13FN2 — CID 155003901

IUPAC(6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile
SMILESC[C@@H]1CC(F)C(C#N)CN1C
InChIInChI=1S/C8H13FN2/c1-6-3-8(9)7(4-10)5-11(6)2/h6-8H,3,5H2,1-2H3/t6-,7?,8?/m1/s1
InChIKeyBGLLVULFACZQPX-JECWYVHBSA-N
MW156.20 g/mol
LogP1.19
Rot. Bonds

About (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile

(6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile (PubChem CID 155003901) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile
PubChem CID155003901
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile
SMILESC[C@@H]1CC(F)C(C#N)CN1C
InChIInChI=1S/C8H13FN2/c1-6-3-8(9)7(4-10)5-11(6)2/h6-8H,3,5H2,1-2H3/t6-,7?,8?/m1/s1
InChIKeyBGLLVULFACZQPX-JECWYVHBSA-N
XLogP1.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-3-carbonitrile
CID 18941139
1,2-Dimethylpiperidine-2-carbonitrile
CID 68496862
1-(2-Fluoroethyl)piperidine-4-carbonitrile
CID 80602210
2-(Fluoromethyl)-5-methyl-1-propan-2-ylpiperidine
CID 89385784
1-Ethyl-4-fluoropiperidine-4-carbonitrile
CID 89409612
5,5-Difluoro-1-methylpiperidine-3-carbonitrile
CID 118178387
(3R)-1-ethyl-5,5-difluoropiperidine-3-carbonitrile
CID 118178390
(3S)-5,5-difluoro-1-methylpiperidine-3-carbonitrile
CID 118178409
(3R)-5,5-difluoro-1-methylpiperidine-3-carbonitrile
CID 118178660
1-Ethyl-5,5-difluoropiperidine-3-carbonitrile
CID 118178664
3-(3-Fluoro-4-methylpiperidin-1-yl)propanenitrile
CID 130633404
4-Fluoro-1-propan-2-ylpiperidine-4-carbonitrile
CID 131106731

Frequently Asked Questions

What is the IUPAC name of (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile?
The IUPAC name of (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile (CID 155003901) is (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile.
What is the SMILES notation for (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile?
The canonical SMILES for (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile is C[C@@H]1CC(F)C(C#N)CN1C.
What is the InChIKey of (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile?
The InChIKey is BGLLVULFACZQPX-JECWYVHBSA-N. The full InChI is InChI=1S/C8H13FN2/c1-6-3-8(9)7(4-10)5-11(6)2/h6-8H,3,5H2,1-2H3/t6-,7?,8?/m1/s1.
What are the key properties of (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile?
(6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile has a molecular weight of 156.20 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 155003901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).