1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane

C23H46F3N — CID 143219575

IUPAC1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane
SMILESCC1CCC(C)CC1.CCC(C(C)C)C1CCNCC1C.CCC(F)(F)F
InChIInChI=1S/C12H25N.C8H16.C3H5F3/c1-5-11(9(2)3)12-6-7-13-8-10(12)4;1-7-3-5-8(2)6-4-7;1-2-3(4,5)6/h9-13H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;2H2,1H3
InChIKeyZPXQNDVICKWBTC-UHFFFAOYSA-N
MW393.62 g/mol
LogP7.71
Rot. Bonds3

About 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane

1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane (PubChem CID 143219575) has the molecular formula C23H46F3N and a molecular weight of 393.62 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane
PubChem CID143219575
Molecular FormulaC23H46F3N
Molecular Weight393.62 g/mol
Exact Mass393.36
IUPAC Name1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane
SMILESCC1CCC(C)CC1.CCC(C(C)C)C1CCNCC1C.CCC(F)(F)F
InChIInChI=1S/C12H25N.C8H16.C3H5F3/c1-5-11(9(2)3)12-6-7-13-8-10(12)4;1-7-3-5-8(2)6-4-7;1-2-3(4,5)6/h9-13H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;2H2,1H3
InChIKeyZPXQNDVICKWBTC-UHFFFAOYSA-N
XLogP7.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane with MolForge

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Related Compounds

3-methyl-4-(2-methylpentan-3-yl)piperidine
CID 143219576
3-methyl-4-propan-2-ylpiperidine
CID 58394699
1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
CID 91069892
1,2-bis(2-methylpentan-3-yl)cyclopentane
CID 91097416
3-ethyl-4-(3-methylbutan-2-yl)piperidine
CID 130648715
4-benzhydryl-3-methylpiperidine
CID 56617151
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
3-(1,1-difluoro-3-methylbutyl)pyrrolidine
CID 105436998
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 66271576
3-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431306
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane?
The IUPAC name of 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane (CID 143219575) is 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane.
What is the SMILES notation for 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane?
The canonical SMILES for 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane is CC1CCC(C)CC1.CCC(C(C)C)C1CCNCC1C.CCC(F)(F)F.
What is the InChIKey of 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane?
The InChIKey is ZPXQNDVICKWBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C8H16.C3H5F3/c1-5-11(9(2)3)12-6-7-13-8-10(12)4;1-7-3-5-8(2)6-4-7;1-2-3(4,5)6/h9-13H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;2H2,1H3.
What are the key properties of 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane?
1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane has a molecular weight of 393.62 g/mol, XLogP of 7.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane is sourced from PubChem (CID 143219575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).