3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine

C16H31N — CID 165455269

IUPAC3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine
SMILESCC1CNCC(C2CC(C)(C)CC(C)(C)C2)C1
InChIInChI=1S/C16H31N/c1-12-6-13(10-17-9-12)14-7-15(2,3)11-16(4,5)8-14/h12-14,17H,6-11H2,1-5H3
InChIKeyLFTFOVZAPSXFMU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.08
Rot. Bonds1

About 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine

3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine (PubChem CID 165455269) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine.

Molecular Properties

Compound Name3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine
PubChem CID165455269
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine
SMILESCC1CNCC(C2CC(C)(C)CC(C)(C)C2)C1
InChIInChI=1S/C16H31N/c1-12-6-13(10-17-9-12)14-7-15(2,3)11-16(4,5)8-14/h12-14,17H,6-11H2,1-5H3
InChIKeyLFTFOVZAPSXFMU-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine?
The IUPAC name of 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine (CID 165455269) is 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine.
What is the SMILES notation for 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine?
The canonical SMILES for 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine is CC1CNCC(C2CC(C)(C)CC(C)(C)C2)C1.
What is the InChIKey of 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine?
The InChIKey is LFTFOVZAPSXFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-6-13(10-17-9-12)14-7-15(2,3)11-16(4,5)8-14/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine?
3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine has a molecular weight of 237.43 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine is sourced from PubChem (CID 165455269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).