2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

C13H20F2N2 — CID 142184960

IUPAC2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCC1CCN(C2CC(F)C(C#N)C(F)C2)CC1
InChIInChI=1S/C13H20F2N2/c1-9-2-4-17(5-3-9)10-6-12(14)11(8-16)13(15)7-10/h9-13H,2-7H2,1H3
InChIKeyNKZLMAAONABAJP-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.70
Rot. Bonds1

About 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 142184960) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID142184960
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCC1CCN(C2CC(F)C(C#N)C(F)C2)CC1
InChIInChI=1S/C13H20F2N2/c1-9-2-4-17(5-3-9)10-6-12(14)11(8-16)13(15)7-10/h9-13H,2-7H2,1H3
InChIKeyNKZLMAAONABAJP-UHFFFAOYSA-N
XLogP2.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[difluoro-(4-methylcyclohexyl)methoxy]-2,6-difluorocyclohexane-1-carbonitrile;dihydrate
CID 158324972
5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 166934308
carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane
CID 170604969
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
3-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 79465982
4-[difluoro-(2-fluoro-4-methylcyclohexyl)methoxy]-2,6-difluorocyclohexane-1-carbonitrile
CID 142184890
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329
(4S)-4-methylazepane-1-carbonitrile
CID 164921443
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (CID 142184960) is 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is CC1CCN(C2CC(F)C(C#N)C(F)C2)CC1.
What is the InChIKey of 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is NKZLMAAONABAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-9-2-4-17(5-3-9)10-6-12(14)11(8-16)13(15)7-10/h9-13H,2-7H2,1H3.
What are the key properties of 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 242.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 142184960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).