2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane

C17H36FN — CID 143128192

IUPAC2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane
SMILESCC.CC1CCC(C)C(F)C1.CC1CCC(C)NC1
InChIInChI=1S/C8H15F.C7H15N.C2H6/c1-6-3-4-7(2)8(9)5-6;1-6-3-4-7(2)8-5-6;1-2/h6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;1-2H3
InChIKeyNGEJFXRPHOOFCN-UHFFFAOYSA-N
MW273.48 g/mol
LogP5.20
Rot. Bonds

About 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane

2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane (PubChem CID 143128192) has the molecular formula C17H36FN and a molecular weight of 273.48 g/mol. Its IUPAC name is 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane
PubChem CID143128192
Molecular FormulaC17H36FN
Molecular Weight273.48 g/mol
Exact Mass273.28
IUPAC Name2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane
SMILESCC.CC1CCC(C)C(F)C1.CC1CCC(C)NC1
InChIInChI=1S/C8H15F.C7H15N.C2H6/c1-6-3-4-7(2)8(9)5-6;1-6-3-4-7(2)8-5-6;1-2/h6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;1-2H3
InChIKeyNGEJFXRPHOOFCN-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethylpiperidine;hydrochloride
CID 55286237
bis(1,3-difluoro-2,5-dimethylcyclohexane);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylcyclohexane);pentahydrate
CID 159094413
2,3-difluoro-1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylcyclohexane);methane;molecular hydrogen;tetrahydrate
CID 158108017
(2R,7S)-2,7-dimethylazocane
CID 146199429
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
(2R,6S)-2,6-dimethylazepane;hydrochloride
CID 66594946
1-chloro-2-fluoro-4-methylcyclohexane;pentakis(1,3-difluoro-2,5-dimethylcyclohexane);pentakis(1,4-dimethylcyclohexane);tetrakis(2-fluoro-1,4-dimethylcyclohexane);pentadecahydrate
CID 159093749
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2-fluoro-1,4-dimethylcyclohexane);molecular hydrogen;trihydrate
CID 160605414
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
2-(3,4-dimethylcyclohexyl)-5-methylpiperidine
CID 106779509
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685
5-(2-fluoro-4-methylcyclohexyl)-1,3-diazinane-2-carbonitrile
CID 142184944

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane?
The IUPAC name of 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane (CID 143128192) is 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane.
What is the SMILES notation for 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane?
The canonical SMILES for 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane is CC.CC1CCC(C)C(F)C1.CC1CCC(C)NC1.
What is the InChIKey of 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane?
The InChIKey is NGEJFXRPHOOFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F.C7H15N.C2H6/c1-6-3-4-7(2)8(9)5-6;1-6-3-4-7(2)8-5-6;1-2/h6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane?
2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane has a molecular weight of 273.48 g/mol, XLogP of 5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpiperidine;ethane;2-fluoro-1,4-dimethylcyclohexane is sourced from PubChem (CID 143128192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).